(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol

C20H34O — CID 132520355

IUPAC(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol
SMILESC=C1CCC[C@]2(C)CC[C@@]3(O)[C@@H]([C@@H](C(C)C)CC[C@@H]3C)[C@H]12
InChIInChI=1S/C20H34O/c1-13(2)16-9-8-15(4)20(21)12-11-19(5)10-6-7-14(3)17(19)18(16)20/h13,15-18,21H,3,6-12H2,1-2,4-5H3/t15-,16+,17-,18-,19+,20-/m0/s1
InChIKeyVJMPLXPIDRMPMX-APNJTCTJSA-N
MW290.49 g/mol
LogP5.19
Rot. Bonds1

About (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol

(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol (PubChem CID 132520355) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol.

Molecular Properties

Compound Name(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol
PubChem CID132520355
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol
SMILESC=C1CCC[C@]2(C)CC[C@@]3(O)[C@@H]([C@@H](C(C)C)CC[C@@H]3C)[C@H]12
InChIInChI=1S/C20H34O/c1-13(2)16-9-8-15(4)20(21)12-11-19(5)10-6-7-14(3)17(19)18(16)20/h13,15-18,21H,3,6-12H2,1-2,4-5H3/t15-,16+,17-,18-,19+,20-/m0/s1
InChIKeyVJMPLXPIDRMPMX-APNJTCTJSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol?
The IUPAC name of (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol (CID 132520355) is (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol.
What is the SMILES notation for (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol?
The canonical SMILES for (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol is C=C1CCC[C@]2(C)CC[C@@]3(O)[C@@H]([C@@H](C(C)C)CC[C@@H]3C)[C@H]12.
What is the InChIKey of (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol?
The InChIKey is VJMPLXPIDRMPMX-APNJTCTJSA-N. The full InChI is InChI=1S/C20H34O/c1-13(2)16-9-8-15(4)20(21)12-11-19(5)10-6-7-14(3)17(19)18(16)20/h13,15-18,21H,3,6-12H2,1-2,4-5H3/t15-,16+,17-,18-,19+,20-/m0/s1.
What are the key properties of (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol?
(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol has a molecular weight of 290.49 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol is sourced from PubChem (CID 132520355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).