methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

C25H44O — CID 155733232

IUPACmethanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(C)C1CC(C)C2C3CCC4(C)CC(C)CCC4C3CCC12C.CO
InChIInChI=1S/C24H40.CH4O/c1-15(2)21-13-17(4)22-19-9-11-23(5)14-16(3)7-8-20(23)18(19)10-12-24(21,22)6;1-2/h16-22H,1,7-14H2,2-6H3;2H,1H3
InChIKeyJOYDHDXVRJVXPE-UHFFFAOYSA-N
MW360.63 g/mol
LogP6.71
Rot. Bonds1

About methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 155733232) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Namemethanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID155733232
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Namemethanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(C)C1CC(C)C2C3CCC4(C)CC(C)CCC4C3CCC12C.CO
InChIInChI=1S/C24H40.CH4O/c1-15(2)21-13-17(4)22-19-9-11-23(5)14-16(3)7-8-20(23)18(19)10-12-24(21,22)6;1-2/h16-22H,1,7-14H2,2-6H3;2H,1H3
InChIKeyJOYDHDXVRJVXPE-UHFFFAOYSA-N
XLogP6.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 155733232) is methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is C=C(C)C1CC(C)C2C3CCC4(C)CC(C)CCC4C3CCC12C.CO.
What is the InChIKey of methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is JOYDHDXVRJVXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40.CH4O/c1-15(2)21-13-17(4)22-19-9-11-23(5)14-16(3)7-8-20(23)18(19)10-12-24(21,22)6;1-2/h16-22H,1,7-14H2,2-6H3;2H,1H3.
What are the key properties of methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 360.63 g/mol, XLogP of 6.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 155733232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).