(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol

C10H16O6 — CID 90051132

IUPAC(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol
SMILESCC1OC2OC(CO)C3OC(C)OC3C2O1
InChIInChI=1S/C10H16O6/c1-4-12-7-6(3-11)16-10-9(8(7)13-4)14-5(2)15-10/h4-11H,3H2,1-2H3
InChIKeyVBBDPVTVFLOXRV-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.41
Rot. Bonds1

About (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol

(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol (PubChem CID 90051132) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol.

Molecular Properties

Compound Name(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol
PubChem CID90051132
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol
SMILESCC1OC2OC(CO)C3OC(C)OC3C2O1
InChIInChI=1S/C10H16O6/c1-4-12-7-6(3-11)16-10-9(8(7)13-4)14-5(2)15-10/h4-11H,3H2,1-2H3
InChIKeyVBBDPVTVFLOXRV-UHFFFAOYSA-N
XLogP-0.41
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol with MolForge

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Related Compounds

(3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 11030980
(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 15929663
(3aS,5R,6S,7S,7aS)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 11095756
4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620815
(1R,3R,5R,6S,8R,10R,11S,13R,14S,16S,17R,19R,21R,22S,24R,26R,27S,29R,31R,32S,34R,35S,37S,38R,40R,41R,42R,43R,44R,45R,46R,48R,49R,50R,51R)-5,10,21,26,31,38,46-heptakis(hydroxymethyl)-2,4,7,9,12,15,18,20,23,25,28,30,33,36,39,47-hexadecaoxadecacyclo[32.3.2.23,6.28,11.213,17.219,22.224,27.229,32.014,16.035,37]henpentacontane-40,41,42,43,44,45,48,49,50,51-decol
CID 10748706
(1R,3R,5R,6S,8R,9S,11S,12R,14R,16R,17S,19R,21R,22S,24R,26R,27S,29R,30S,32S,33R,35R,36R,37R,38R,39R,40R,41R,43R,44R)-5,16,21,26,33,41-hexakis(hydroxymethyl)-2,4,7,10,13,15,18,20,23,25,28,31,34,42-tetradecaoxanonacyclo[27.3.2.23,6.28,12.214,17.219,22.224,27.09,11.030,32]tetratetracontane-35,36,37,38,39,40,43,44-octol
CID 101235779
N-[[[2-[9-(hydroxymethyl)-11-methyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-4-yl]acetyl]amino]methyl]propanamide
CID 171448464
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;prop-1-ene
CID 174927112
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,25-tris(hydroxymethyl)-15,20,30,35-tetramethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 44606671
[(1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,34S,36R,37R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R)-39,40,41,42,43,44,45,46,47,48,49,50-dodecahydroxy-5,10,15,25,30,37-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,35,38-pentadecaoxanonacyclo[31.3.2.23,6.28,11.213,16.218,21.223,26.228,31.034,36]pentacontan-20-yl]methyl methanesulfonate
CID 135488984
(5R,10R,11S,15R,16S,20R,25R,26S,30R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 161459387
(5R,10R,11S,15R,16S,20R,21S,25R,26S,30R,31S,35R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 121295384

Frequently Asked Questions

What is the IUPAC name of (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol?
The IUPAC name of (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol (CID 90051132) is (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol.
What is the SMILES notation for (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol?
The canonical SMILES for (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol is CC1OC2OC(CO)C3OC(C)OC3C2O1.
What is the InChIKey of (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol?
The InChIKey is VBBDPVTVFLOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-4-12-7-6(3-11)16-10-9(8(7)13-4)14-5(2)15-10/h4-11H,3H2,1-2H3.
What are the key properties of (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol?
(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol has a molecular weight of 232.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol is sourced from PubChem (CID 90051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).