4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol

C15H22O2 — CID 21026997

IUPAC4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol
SMILESCC12CC3C4CC5(O)CC3C(C1)C(O)(C5)C4C2
InChIInChI=1S/C15H22O2/c1-13-2-8-9-3-14(16)4-10(8)12(6-13)15(17,7-14)11(9)5-13/h8-12,16-17H,2-7H2,1H3
InChIKeyOTJAJPYRASITNK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds

About 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol

4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol (PubChem CID 21026997) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol.

Molecular Properties

Compound Name4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol
PubChem CID21026997
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol
SMILESCC12CC3C4CC5(O)CC3C(C1)C(O)(C5)C4C2
InChIInChI=1S/C15H22O2/c1-13-2-8-9-3-14(16)4-10(8)12(6-13)15(17,7-14)11(9)5-13/h8-12,16-17H,2-7H2,1H3
InChIKeyOTJAJPYRASITNK-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3beta,11alpha,13beta)-3,11,13-Oleananetriol
CID 131751573
(1R,3S,4R,4aR,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-1,3-diol
CID 50900237
Diamantan-1-ol
CID 141568
5,7-Dimethyladamantane-1,3-diol
CID 580605
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
3xi-4-Copanol
CID 14807649
Oleanane-3,11,13-triol, (3beta,11alpha)-
CID 162966758
(1R,4S,5R,9S,10S,12S,13S)-5-hydroperoxy-5,9,13-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecan-13-ol
CID 163034704
(1R,5R,6S,8R,9S)-5,6,9-trimethyltricyclo[6.2.2.01,6]dodecan-9-ol
CID 163088356
5-Methyl-1,3-adamantanediol
CID 429306
5-Ethyladamantane-1,3-diol
CID 3652070
Adamantan-1-ol, 2,2-dimethyl
CID 524265

Frequently Asked Questions

What is the IUPAC name of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol?
The IUPAC name of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol (CID 21026997) is 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol.
What is the SMILES notation for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol?
The canonical SMILES for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol is CC12CC3C4CC5(O)CC3C(C1)C(O)(C5)C4C2.
What is the InChIKey of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol?
The InChIKey is OTJAJPYRASITNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13-2-8-9-3-14(16)4-10(8)12(6-13)15(17,7-14)11(9)5-13/h8-12,16-17H,2-7H2,1H3.
What are the key properties of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol?
4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol has a molecular weight of 234.34 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,9-diol is sourced from PubChem (CID 21026997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).