(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

C11H14O — CID 10103457

IUPAC(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESOC1C2C3CC4C1[C@@H]1C[C@H]4C3C21
InChIInChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4?,5?,6+,7?,8?,9?,10?,11?/m1/s1
InChIKeyHPPCKQCWRBPJIB-LOMPXPEFSA-N
MW162.23 g/mol
LogP1.13
Rot. Bonds

About (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (PubChem CID 10103457) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.

Molecular Properties

Compound Name(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
PubChem CID10103457
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESOC1C2C3CC4C1[C@@H]1C[C@H]4C3C21
InChIInChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4?,5?,6+,7?,8?,9?,10?,11?/m1/s1
InChIKeyHPPCKQCWRBPJIB-LOMPXPEFSA-N
XLogP1.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The IUPAC name of (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (CID 10103457) is (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.
What is the SMILES notation for (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The canonical SMILES for (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is OC1C2C3CC4C1[C@@H]1C[C@H]4C3C21.
What is the InChIKey of (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The InChIKey is HPPCKQCWRBPJIB-LOMPXPEFSA-N. The full InChI is InChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4?,5?,6+,7?,8?,9?,10?,11?/m1/s1.
What are the key properties of (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
(3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol has a molecular weight of 162.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is sourced from PubChem (CID 10103457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).