7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol

C20H34O — CID 142031692

IUPAC7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol
SMILESCC(C)CC1CC2=C(CCCC2O)C2CCC(C)(C)CC12
InChIInChI=1S/C20H34O/c1-13(2)10-14-11-17-15(6-5-7-19(17)21)16-8-9-20(3,4)12-18(14)16/h13-14,16,18-19,21H,5-12H2,1-4H3
InChIKeyLZQDZZKNVDUBBH-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.34
Rot. Bonds2

About 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol

7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol (PubChem CID 142031692) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol.

Molecular Properties

Compound Name7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol
PubChem CID142031692
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol
SMILESCC(C)CC1CC2=C(CCCC2O)C2CCC(C)(C)CC12
InChIInChI=1S/C20H34O/c1-13(2)10-14-11-17-15(6-5-7-19(17)21)16-8-9-20(3,4)12-18(14)16/h13-14,16,18-19,21H,5-12H2,1-4H3
InChIKeyLZQDZZKNVDUBBH-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.34
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

5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 134223782
7a-methyl-4-methylidene-3-(2-methylpropyl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 71365257
4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
CID 130596399
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
3,5,5-trimethyl-2-(2-methylpropyl)azepane
CID 155002215
4-(2-methylpropyl)-3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-1H-cyclododeca[d]pyrimidine-2-thione
CID 11381294
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
CID 142848470
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 107871182
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
(2E)-2-(2-methylpropylidene)cyclopentan-1-ol
CID 14568108

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol?
The IUPAC name of 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol (CID 142031692) is 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol.
What is the SMILES notation for 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol?
The canonical SMILES for 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol is CC(C)CC1CC2=C(CCCC2O)C2CCC(C)(C)CC12.
What is the InChIKey of 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol?
The InChIKey is LZQDZZKNVDUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-13(2)10-14-11-17-15(6-5-7-19(17)21)16-8-9-20(3,4)12-18(14)16/h13-14,16,18-19,21H,5-12H2,1-4H3.
What are the key properties of 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol?
7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-9-(2-methylpropyl)-2,3,4,4b,5,6,8,8a,9,10-decahydro-1H-phenanthren-1-ol is sourced from PubChem (CID 142031692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).