3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane

C26H48 — CID 142612800

IUPAC3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane
SMILESC.C=CCC1CCC2C(CCC3(CC(C)C)C(CC)CCC23)C1CCC
InChIInChI=1S/C25H44.CH4/c1-6-9-19-11-13-23-22(21(19)10-7-2)15-16-25(17-18(4)5)20(8-3)12-14-24(23)25;/h6,18-24H,1,7-17H2,2-5H3;1H4
InChIKeyHOLYHJXBLRWVAF-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.52
Rot. Bonds7

About 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane

3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane (PubChem CID 142612800) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane.

Molecular Properties

Compound Name3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane
PubChem CID142612800
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane
SMILESC.C=CCC1CCC2C(CCC3(CC(C)C)C(CC)CCC23)C1CCC
InChIInChI=1S/C25H44.CH4/c1-6-9-19-11-13-23-22(21(19)10-7-2)15-16-25(17-18(4)5)20(8-3)12-14-24(23)25;/h6,18-24H,1,7-17H2,2-5H3;1H4
InChIKeyHOLYHJXBLRWVAF-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen
CID 142612917
1-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)propan-2-one
CID 171642699
(3R,3aS,5aR,6S,7S,9aR,9bS)-3-(1-bromopropan-2-yl)-3a-methyl-7-(3-methylbutyl)-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene
CID 146659406
(3Z)-7-(2,2-difluoroethyl)-3-ethylidene-3a-methyl-6-propyl-2,4,5,5a,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene;methane
CID 144732611
7-(2-fluoroethyl)-3-(3-methoxypropyl)-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene
CID 171642758
7-butyl-1,4,10a-trimethyl-8-propyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-1H-phenanthrene;methane;prop-1-ene
CID 155752491
N'-[[2-[3a-ethyl-7-(2-methoxyethyl)-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethyl]-aminoamino]ethanimidamide
CID 142612957
7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 144732645
(5R,8R,9R,10S,13R,14S,17R)-17-ethenyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 173330052
N,N'-diamino-N-[2-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)-2-oxoethyl]methanimidamide
CID 144966353
(8R,9S,10S,13R,14S,17S)-13-methyl-17-prop-2-enyl-3,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-ol
CID 23616849
1-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)-2-piperazin-1-ylethanone
CID 144732787

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane?
The IUPAC name of 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane (CID 142612800) is 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane.
What is the SMILES notation for 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane?
The canonical SMILES for 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane is C.C=CCC1CCC2C(CCC3(CC(C)C)C(CC)CCC23)C1CCC.
What is the InChIKey of 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane?
The InChIKey is HOLYHJXBLRWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44.CH4/c1-6-9-19-11-13-23-22(21(19)10-7-2)15-16-25(17-18(4)5)20(8-3)12-14-24(23)25;/h6,18-24H,1,7-17H2,2-5H3;1H4.
What are the key properties of 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane?
3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane has a molecular weight of 360.67 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane is sourced from PubChem (CID 142612800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).