7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene

C22H38 — CID 144934979

IUPAC7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene
SMILESC=CC1(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC2(C)C1
InChIInChI=1S/C22H38/c1-8-19(4)10-14-22(7)17-15-18(2,3)9-11-20(17,5)12-13-21(22,6)16-19/h8,17H,1,9-16H2,2-7H3
InChIKeyISCFYQNQAUHXLS-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.00
Rot. Bonds1

About 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene

7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene (PubChem CID 144934979) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene.

Molecular Properties

Compound Name7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene
PubChem CID144934979
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene
SMILESC=CC1(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC2(C)C1
InChIInChI=1S/C22H38/c1-8-19(4)10-14-22(7)17-15-18(2,3)9-11-20(17,5)12-13-21(22,6)16-19/h8,17H,1,9-16H2,2-7H3
InChIKeyISCFYQNQAUHXLS-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene 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

(3S,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
CID 162949684
(4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl)methanol
CID 163025213
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
(3R,4R,4aS,6bR,8aR,12aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol
CID 5320364
4,4a,6a,6b,8a,11,11,14b-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
CID 162844474
(3S,4R,4aS,6aR,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
CID 162967135
(4S,4aS,6aR,6aR,6bR,8aS,12aR,14aR,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
CID 124784535
4,6a,6b,8a,11,11,14a-heptamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carbaldehyde
CID 587581
13b-hydroxy-3,3a,5b,7a,10,10,11b,13a-octamethyl-3,4,5,5a,6,7,8,9,11,11a,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-2-one
CID 78144390
(1R,2R,5R,7S,10R,11S)-5-ethenyl-2,5,11-trimethyl-13,14-dioxatetracyclo[9.3.3.01,10.02,7]heptadecane
CID 162979123
(3R,6aR,6aS,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol
CID 163058468
1-(3-hydroxypropyl)-4b,6a,9,9,10b,12a-hexamethyl-2-prop-1-en-2-yl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-2-ol
CID 162864160

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene?
The IUPAC name of 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene (CID 144934979) is 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene.
What is the SMILES notation for 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene?
The canonical SMILES for 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene is C=CC1(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC2(C)C1.
What is the InChIKey of 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene?
The InChIKey is ISCFYQNQAUHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-8-19(4)10-14-22(7)17-15-18(2,3)9-11-20(17,5)12-13-21(22,6)16-19/h8,17H,1,9-16H2,2-7H3.
What are the key properties of 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene?
7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene has a molecular weight of 302.55 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3,3,4b,7,8a,10a-hexamethyl-2,4,4a,5,6,8,9,10-octahydro-1H-phenanthrene is sourced from PubChem (CID 144934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).