3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane

C19H34 — CID 144608363

IUPAC3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane
SMILESC=C1CC2C(C)(CCC3C(C)CCCC32C)C1.CC
InChIInChI=1S/C17H28.C2H6/c1-12-10-15-16(3,11-12)9-7-14-13(2)6-5-8-17(14,15)4;1-2/h13-15H,1,5-11H2,2-4H3;1-2H3
InChIKeyWWEZYFWHNKUGLB-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.22
Rot. Bonds

About 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane

3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane (PubChem CID 144608363) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane.

Molecular Properties

Compound Name3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane
PubChem CID144608363
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane
SMILESC=C1CC2C(C)(CCC3C(C)CCCC32C)C1.CC
InChIInChI=1S/C17H28.C2H6/c1-12-10-15-16(3,11-12)9-7-14-13(2)6-5-8-17(14,15)4;1-2/h13-15H,1,5-11H2,2-4H3;1-2H3
InChIKeyWWEZYFWHNKUGLB-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
2-(5,8a-dimethyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl)acetaldehyde
CID 144751896
5b,8,11a-trimethyl-2,3,3a,4,5,5a,6,7,7a,8,9,10,11,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
CID 144917568
[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
CID 142805256
(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 163717124
(1S,7R,9aS,10S)-1,4a,9a,10-tetramethyl-8-methylidene-2,3,4,4b,5,6,7,9,10,10a-decahydro-1H-benzo[a]azulen-7-ol
CID 89234270
(4aS,4bS,7R,8aS,10aS)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 100977017
1-methyl-3-methylidenebicyclo[3.1.0]hexane
CID 90931570
(4R,4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,12,12a,13,14,14a-octadecahydropicene
CID 15060601
(3R,8S,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3-thiol
CID 141192428
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775

Frequently Asked Questions

What is the IUPAC name of 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane?
The IUPAC name of 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane (CID 144608363) is 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane.
What is the SMILES notation for 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane?
The canonical SMILES for 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane is C=C1CC2C(C)(CCC3C(C)CCCC32C)C1.CC.
What is the InChIKey of 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane?
The InChIKey is WWEZYFWHNKUGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C2H6/c1-12-10-15-16(3,11-12)9-7-14-13(2)6-5-8-17(14,15)4;1-2/h13-15H,1,5-11H2,2-4H3;1-2H3.
What are the key properties of 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane?
3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane has a molecular weight of 262.48 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane is sourced from PubChem (CID 144608363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).