ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one

C29H44O2 — CID 171647945

IUPACethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one
SMILESC=C.CC1=C2CCC3C(C)(CCC4C5CC(C)CCC5(C)CCC43C)C2C=C(O)C1=O
InChIInChI=1S/C27H40O2.C2H4/c1-16-8-10-25(3)12-13-27(5)19(21(25)14-16)9-11-26(4)20-15-22(28)24(29)17(2)18(20)6-7-23(26)27;1-2/h15-16,19-21,23,28H,6-14H2,1-5H3;1-2H2
InChIKeyKCHQZIXLGJGZEB-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.81
Rot. Bonds

About ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one

ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one (PubChem CID 171647945) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one.

Molecular Properties

Compound Nameethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one
PubChem CID171647945
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Nameethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one
SMILESC=C.CC1=C2CCC3C(C)(CCC4C5CC(C)CCC5(C)CCC43C)C2C=C(O)C1=O
InChIInChI=1S/C27H40O2.C2H4/c1-16-8-10-25(3)12-13-27(5)19(21(25)14-16)9-11-26(4)20-15-22(28)24(29)17(2)18(20)6-7-23(26)27;1-2/h15-16,19-21,23,28H,6-14H2,1-5H3;1-2H2
InChIKeyKCHQZIXLGJGZEB-UHFFFAOYSA-N
XLogP7.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one?
The IUPAC name of ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one (CID 171647945) is ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one.
What is the SMILES notation for ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one?
The canonical SMILES for ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one is C=C.CC1=C2CCC3C(C)(CCC4C5CC(C)CCC5(C)CCC43C)C2C=C(O)C1=O.
What is the InChIKey of ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one?
The InChIKey is KCHQZIXLGJGZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2.C2H4/c1-16-8-10-25(3)12-13-27(5)19(21(25)14-16)9-11-26(4)20-15-22(28)24(29)17(2)18(20)6-7-23(26)27;1-2/h15-16,19-21,23,28H,6-14H2,1-5H3;1-2H2.
What are the key properties of ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one?
ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one has a molecular weight of 424.67 g/mol, XLogP of 7.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxy-4,6b,8a,11,14a-pentamethyl-5,6,6a,6a,7,8,9,10,11,12,12a,13,14,14b-tetradecahydropicen-3-one is sourced from PubChem (CID 171647945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).