[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol

C20H32O — CID 90657801

IUPAC[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol
SMILESC=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(CO)CCC[C@@]13C
InChIInChI=1S/C20H32O/c1-14-7-10-20-12-15(14)11-16(20)5-6-17-18(2,13-21)8-4-9-19(17,20)3/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17-,18+,19-,20+/m0/s1
InChIKeyMKQDLCAKPDXHKE-YDRVBMSGSA-N
MW288.48 g/mol
LogP4.95
Rot. Bonds1

About [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol

[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol (PubChem CID 90657801) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol
PubChem CID90657801
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol
SMILESC=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(CO)CCC[C@@]13C
InChIInChI=1S/C20H32O/c1-14-7-10-20-12-15(14)11-16(20)5-6-17-18(2,13-21)8-4-9-19(17,20)3/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17-,18+,19-,20+/m0/s1
InChIKeyMKQDLCAKPDXHKE-YDRVBMSGSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.95
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 [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol?
The IUPAC name of [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol (CID 90657801) is [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol.
What is the SMILES notation for [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol?
The canonical SMILES for [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol is C=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(CO)CCC[C@@]13C.
What is the InChIKey of [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol?
The InChIKey is MKQDLCAKPDXHKE-YDRVBMSGSA-N. The full InChI is InChI=1S/C20H32O/c1-14-7-10-20-12-15(14)11-16(20)5-6-17-18(2,13-21)8-4-9-19(17,20)3/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17-,18+,19-,20+/m0/s1.
What are the key properties of [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol?
[(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol has a molecular weight of 288.48 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S,7R,10S,12S)-2,6-dimethyl-13-methylidene-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methanol is sourced from PubChem (CID 90657801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).