(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol

C15H26O4 — CID 176680077

IUPAC(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
SMILESCC1CCC2[C@@H](C)CO[C@@H]3OC(C)(O)CCC1[C@@]23O
InChIInChI=1S/C15H26O4/c1-9-4-5-11-10(2)8-18-13-15(11,17)12(9)6-7-14(3,16)19-13/h9-13,16-17H,4-8H2,1-3H3/t9?,10-,11?,12?,13+,14?,15-/m0/s1
InChIKeyDBJDQVZUWZJQJF-UQMJSESQSA-N
MW270.37 g/mol
LogP1.89
Rot. Bonds

About (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol

(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol (PubChem CID 176680077) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol.

Molecular Properties

Compound Name(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
PubChem CID176680077
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
SMILESCC1CCC2[C@@H](C)CO[C@@H]3OC(C)(O)CCC1[C@@]23O
InChIInChI=1S/C15H26O4/c1-9-4-5-11-10(2)8-18-13-15(11,17)12(9)6-7-14(3,16)19-13/h9-13,16-17H,4-8H2,1-3H3/t9?,10-,11?,12?,13+,14?,15-/m0/s1
InChIKeyDBJDQVZUWZJQJF-UQMJSESQSA-N
XLogP1.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol with MolForge

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Related Compounds

(1R,3S,4R,5S,8R,9S,14R)-3-methoxy-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
CID 144674207
(4R,9S,12S)-12,14-dihydroxy-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecan-3-one;iron
CID 59111509
4-[[(1R,3R,4R,5S,8R,9S,12S,14R)-12,14-dihydroxy-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecan-3-yl]oxy]-4-oxobutanoic acid
CID 147106606
(1R,5R,8S,9R,12R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
CID 166149740
(1S,3R,4R,5S,8R,9S,12R,14R)-3-(3-bromopropoxy)-4,8,12-trimethyl-3-(trifluoromethyl)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
CID 162583666
(12R)-4-[5-[[(5S,8R,14R)-14-hydroxy-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecan-3-yl]oxy]pentoxymethyl]-8,12-dimethyl-3-(trifluoromethyl)-2,13-dioxatricyclo[7.4.1.05,14]tetradec-3-ene-12,14-diol
CID 143933093
ethane;3-methylazetidine-1,3-dicarboxylic acid;(9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
CID 176680069
(1aS,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
CID 162899416
(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
CID 139024279
(1S,4S,5R,8S,9S,12R,13R)-1,5-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-9-carbaldehyde
CID 73355959
(1R,4R,5R,8R,9S,10R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
CID 124769751
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
CID 3000518

Frequently Asked Questions

What is the IUPAC name of (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol?
The IUPAC name of (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol (CID 176680077) is (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol.
What is the SMILES notation for (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol?
The canonical SMILES for (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol is CC1CCC2[C@@H](C)CO[C@@H]3OC(C)(O)CCC1[C@@]23O.
What is the InChIKey of (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol?
The InChIKey is DBJDQVZUWZJQJF-UQMJSESQSA-N. The full InChI is InChI=1S/C15H26O4/c1-9-4-5-11-10(2)8-18-13-15(11,17)12(9)6-7-14(3,16)19-13/h9-13,16-17H,4-8H2,1-3H3/t9?,10-,11?,12?,13+,14?,15-/m0/s1.
What are the key properties of (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol?
(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol has a molecular weight of 270.37 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol is sourced from PubChem (CID 176680077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).