(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol

C10H12O — CID 6565918

IUPAC(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
SMILESO[C@H]1[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@@H]2[C@H]5[C@@H]14
InChIInChI=1S/C10H12O/c11-10-7-3-1-2-4-5(3)9(10)8(4)6(2)7/h2-11H,1H2/t2-,3+,4-,5+,6+,7-,8+,9+,10+/m0/s1
InChIKeyKSRRHRNTPWNNTN-ZVBONYOESA-N
MW148.20 g/mol
LogP0.74
Rot. Bonds

About (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol

(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol (PubChem CID 6565918) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
PubChem CID6565918
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
SMILESO[C@H]1[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@@H]2[C@H]5[C@@H]14
InChIInChI=1S/C10H12O/c11-10-7-3-1-2-4-5(3)9(10)8(4)6(2)7/h2-11H,1H2/t2-,3+,4-,5+,6+,7-,8+,9+,10+/m0/s1
InChIKeyKSRRHRNTPWNNTN-ZVBONYOESA-N
XLogP0.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol?
The IUPAC name of (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol (CID 6565918) is (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol.
What is the SMILES notation for (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol?
The canonical SMILES for (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol is O[C@H]1[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@@H]2[C@H]5[C@@H]14.
What is the InChIKey of (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol?
The InChIKey is KSRRHRNTPWNNTN-ZVBONYOESA-N. The full InChI is InChI=1S/C10H12O/c11-10-7-3-1-2-4-5(3)9(10)8(4)6(2)7/h2-11H,1H2/t2-,3+,4-,5+,6+,7-,8+,9+,10+/m0/s1.
What are the key properties of (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol?
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol has a molecular weight of 148.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol is sourced from PubChem (CID 6565918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).