[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol

C19H32O — CID 118136057

IUPAC[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol
SMILESC=C1CCC2[C@](CO)(CCC3C(C)(C)CCC[C@]32C)C1
InChIInChI=1S/C19H32O/c1-14-6-7-16-18(4)10-5-9-17(2,3)15(18)8-11-19(16,12-14)13-20/h15-16,20H,1,5-13H2,2-4H3/t15?,16?,18-,19-/m1/s1
InChIKeyWTAUZZGGRSLZCX-LRMJVLKBSA-N
MW276.46 g/mol
LogP4.95
Rot. Bonds1

About [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol

[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol (PubChem CID 118136057) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol.

Molecular Properties

Compound Name[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol
PubChem CID118136057
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol
SMILESC=C1CCC2[C@](CO)(CCC3C(C)(C)CCC[C@]32C)C1
InChIInChI=1S/C19H32O/c1-14-6-7-16-18(4)10-5-9-17(2,3)15(18)8-11-19(16,12-14)13-20/h15-16,20H,1,5-13H2,2-4H3/t15?,16?,18-,19-/m1/s1
InChIKeyWTAUZZGGRSLZCX-LRMJVLKBSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
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 [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol?
The IUPAC name of [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol (CID 118136057) is [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol.
What is the SMILES notation for [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol?
The canonical SMILES for [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol is C=C1CCC2[C@](CO)(CCC3C(C)(C)CCC[C@]32C)C1.
What is the InChIKey of [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol?
The InChIKey is WTAUZZGGRSLZCX-LRMJVLKBSA-N. The full InChI is InChI=1S/C19H32O/c1-14-6-7-16-18(4)10-5-9-17(2,3)15(18)8-11-19(16,12-14)13-20/h15-16,20H,1,5-13H2,2-4H3/t15?,16?,18-,19-/m1/s1.
What are the key properties of [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol?
[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol has a molecular weight of 276.46 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 [(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol is sourced from PubChem (CID 118136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).