(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

C9H14O5 — CID 58077746

IUPAC(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1
InChIInChI=1S/C9H14O5/c1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h4-8,10H,3H2,1-2H3/t4?,5?,6-,7?,8+/m0/s1
InChIKeyKBFVPGRBNZEXHY-GBZOPPSHSA-N
MW202.21 g/mol
LogP-0.03
Rot. Bonds

About (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (PubChem CID 58077746) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.

Molecular Properties

Compound Name(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
PubChem CID58077746
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1
InChIInChI=1S/C9H14O5/c1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h4-8,10H,3H2,1-2H3/t4?,5?,6-,7?,8+/m0/s1
InChIKeyKBFVPGRBNZEXHY-GBZOPPSHSA-N
XLogP-0.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol with MolForge

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Related Compounds

(3aR,6S)-5-(2-hydroxy-3-trimethylsilylpropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 158271059
2,2,5-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 130142145
(1S,2R,6R,8R,11R)-11-[[(1S,2R,6R,8R,11S)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
CID 72723980
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol
CID 11778004
4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 73042620
(1S,2R,6R,8R,12R,13S)-4,4,12-trimethyl-3,5,7,14-tetraoxa-10-azatetracyclo[6.6.0.02,6.010,13]tetradecane-11-thione
CID 11065551
(5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 12613921
(2R,4R,8R,9S)-6,6-dimethyl-3,5,7,10,12,14-hexaoxa-11-phosphatetracyclo[9.2.1.02,9.04,8]tetradecane
CID 23418548
(3aR,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 70373210

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The IUPAC name of (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (CID 58077746) is (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.
What is the SMILES notation for (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The canonical SMILES for (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is CC1(C)OC2[C@H](OC3CC(O)O[C@@H]32)O1.
What is the InChIKey of (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The InChIKey is KBFVPGRBNZEXHY-GBZOPPSHSA-N. The full InChI is InChI=1S/C9H14O5/c1-9(2)13-7-6-4(3-5(10)12-6)11-8(7)14-9/h4-8,10H,3H2,1-2H3/t4?,5?,6-,7?,8+/m0/s1.
What are the key properties of (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol has a molecular weight of 202.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is sourced from PubChem (CID 58077746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).