ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol

C18H32O — CID 155589363

IUPACethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol
SMILESC=C.CC1CCC2C(CCC3C(CO)CCCC32)C1
InChIInChI=1S/C16H28O.C2H4/c1-11-5-7-14-12(9-11)6-8-15-13(10-17)3-2-4-16(14)15;1-2/h11-17H,2-10H2,1H3;1-2H2
InChIKeyNAPSIWHAOLMVQH-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.66
Rot. Bonds1

About ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol

ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol (PubChem CID 155589363) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol.

Molecular Properties

Compound Nameethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol
PubChem CID155589363
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Nameethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol
SMILESC=C.CC1CCC2C(CCC3C(CO)CCCC32)C1
InChIInChI=1S/C16H28O.C2H4/c1-11-5-7-14-12(9-11)6-8-15-13(10-17)3-2-4-16(14)15;1-2/h11-17H,2-10H2,1H3;1-2H2
InChIKeyNAPSIWHAOLMVQH-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
CID 11401364
(13R)-17-but-1-en-2-yl-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 155751511
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864

Frequently Asked Questions

What is the IUPAC name of ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol?
The IUPAC name of ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol (CID 155589363) is ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol.
What is the SMILES notation for ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol?
The canonical SMILES for ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol is C=C.CC1CCC2C(CCC3C(CO)CCCC32)C1.
What is the InChIKey of ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol?
The InChIKey is NAPSIWHAOLMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O.C2H4/c1-11-5-7-14-12(9-11)6-8-15-13(10-17)3-2-4-16(14)15;1-2/h11-17H,2-10H2,1H3;1-2H2.
What are the key properties of ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol?
ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol has a molecular weight of 264.45 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol is sourced from PubChem (CID 155589363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).