ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

C26H48 — CID 90721332

IUPACethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SMILESCC.CC.CC.CC.CC1CC2C(CCC3CCCC32)c2ccccc21
InChIInChI=1S/C18H24.4C2H6/c1-12-11-18-15-8-4-5-13(15)9-10-17(18)16-7-3-2-6-14(12)16;4*1-2/h2-3,6-7,12-13,15,17-18H,4-5,8-11H2,1H3;4*1-2H3
InChIKeyPVGQWHOUWUXAMS-UHFFFAOYSA-N
MW360.67 g/mol
LogP9.21
Rot. Bonds

About ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene (PubChem CID 90721332) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Nameethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
PubChem CID90721332
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Nameethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SMILESCC.CC.CC.CC.CC1CC2C(CCC3CCCC32)c2ccccc21
InChIInChI=1S/C18H24.4C2H6/c1-12-11-18-15-8-4-5-13(15)9-10-17(18)16-7-3-2-6-14(12)16;4*1-2/h2-3,6-7,12-13,15,17-18H,4-5,8-11H2,1H3;4*1-2H3
InChIKeyPVGQWHOUWUXAMS-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene with MolForge

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Related Compounds

2,3,4,4a,4b,5,10b,11,12,12a-decahydro-1H-naphtho[1,2-c]thiochromene
CID 158511904
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
4-methyl-2-(6-methylpiperidin-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 116685562
(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59989769
(1R)-1-[2-[[(1R)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58591794
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(6R,8R,9S,13S,14S)-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 13058339
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420107
CID 158872076
CID 158872076
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The IUPAC name of ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene (CID 90721332) is ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene.
What is the SMILES notation for ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The canonical SMILES for ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene is CC.CC.CC.CC.CC1CC2C(CCC3CCCC32)c2ccccc21.
What is the InChIKey of ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The InChIKey is PVGQWHOUWUXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.4C2H6/c1-12-11-18-15-8-4-5-13(15)9-10-17(18)16-7-3-2-6-14(12)16;4*1-2/h2-3,6-7,12-13,15,17-18H,4-5,8-11H2,1H3;4*1-2H3.
What are the key properties of ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene has a molecular weight of 360.67 g/mol, XLogP of 9.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 90721332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).