(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol

C14H20O2 — CID 134847786

IUPAC(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
SMILESOC12C[C@H]3CC4C1CC1C[C@@H]4[C@@H](C3)[C@]2(O)C1
InChIInChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2/t7-,8?,9?,10-,11?,12+,13?,14+/m0/s1
InChIKeyRGYCFRDBOFADMI-CTZDTTFQSA-N
MW220.31 g/mol
LogP1.55
Rot. Bonds

About (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol

(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol (PubChem CID 134847786) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol.

Molecular Properties

Compound Name(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
PubChem CID134847786
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol
SMILESOC12C[C@H]3CC4C1CC1C[C@@H]4[C@@H](C3)[C@]2(O)C1
InChIInChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2/t7-,8?,9?,10-,11?,12+,13?,14+/m0/s1
InChIKeyRGYCFRDBOFADMI-CTZDTTFQSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The IUPAC name of (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol (CID 134847786) is (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol.
What is the SMILES notation for (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The canonical SMILES for (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol is OC12C[C@H]3CC4C1CC1C[C@@H]4[C@@H](C3)[C@]2(O)C1.
What is the InChIKey of (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
The InChIKey is RGYCFRDBOFADMI-CTZDTTFQSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-5-7-1-9-10-2-8(4-11(9)13)6-14(13,16)12(10)3-7/h7-12,15-16H,1-6H2/t7-,8?,9?,10-,11?,12+,13?,14+/m0/s1.
What are the key properties of (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol?
(2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol has a molecular weight of 220.31 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7R,9S)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,2-diol is sourced from PubChem (CID 134847786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).