(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol

C15H24O — CID 10353422

IUPAC(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol
SMILESC=C1[C@@H](O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C
InChIInChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,15+/m0/s1
InChIKeyPXTIGSAHLHFBJH-HZQNPPOTSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol

(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol (PubChem CID 10353422) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol.

Molecular Properties

Compound Name(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol
PubChem CID10353422
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol
SMILESC=C1[C@@H](O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C
InChIInChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,15+/m0/s1
InChIKeyPXTIGSAHLHFBJH-HZQNPPOTSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol?
The IUPAC name of (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol (CID 10353422) is (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol.
What is the SMILES notation for (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol?
The canonical SMILES for (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol is C=C1[C@@H](O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C.
What is the InChIKey of (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol?
The InChIKey is PXTIGSAHLHFBJH-HZQNPPOTSA-N. The full InChI is InChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,15+/m0/s1.
What are the key properties of (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol?
(1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,6S,9S)-9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-ol is sourced from PubChem (CID 10353422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).