(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol

C20H32O — CID 162893691

IUPAC(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol
SMILESC=C1CCC[C@@H](C)CCC2=C(C)[C@@H]3[C@@H]1CC[C@]3(C)[C@@H](O)C2
InChIInChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h13,17-19,21H,2,5-12H2,1,3-4H3/t13-,17-,18+,19-,20-/m1/s1
InChIKeyAQKSOIFIWCVNCZ-DBTZYBQZSA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds

About (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol

(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol (PubChem CID 162893691) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol.

Molecular Properties

Compound Name(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol
PubChem CID162893691
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol
SMILESC=C1CCC[C@@H](C)CCC2=C(C)[C@@H]3[C@@H]1CC[C@]3(C)[C@@H](O)C2
InChIInChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h13,17-19,21H,2,5-12H2,1,3-4H3/t13-,17-,18+,19-,20-/m1/s1
InChIKeyAQKSOIFIWCVNCZ-DBTZYBQZSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
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,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol?
The IUPAC name of (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol (CID 162893691) is (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol.
What is the SMILES notation for (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol?
The canonical SMILES for (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol is C=C1CCC[C@@H](C)CCC2=C(C)[C@@H]3[C@@H]1CC[C@]3(C)[C@@H](O)C2.
What is the InChIKey of (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol?
The InChIKey is AQKSOIFIWCVNCZ-DBTZYBQZSA-N. The full InChI is InChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h13,17-19,21H,2,5-12H2,1,3-4H3/t13-,17-,18+,19-,20-/m1/s1.
What are the key properties of (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol?
(1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol has a molecular weight of 288.48 g/mol, XLogP of 5.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,11S,12S,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-en-11-ol is sourced from PubChem (CID 162893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).