6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane

C11H20 — CID 145030122

IUPAC6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane
SMILESCC.CC12C=CCC1CCC2
InChIInChI=1S/C9H14.C2H6/c1-9-6-2-4-8(9)5-3-7-9;1-2/h2,6,8H,3-5,7H2,1H3;1-2H3
InChIKeyKEHJCFLMLAWNMY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds

About 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane

6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane (PubChem CID 145030122) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane.

Molecular Properties

Compound Name6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane
PubChem CID145030122
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane
SMILESCC.CC12C=CCC1CCC2
InChIInChI=1S/C9H14.C2H6/c1-9-6-2-4-8(9)5-3-7-9;1-2/h2,6,8H,3-5,7H2,1H3;1-2H3
InChIKeyKEHJCFLMLAWNMY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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

(3aS,7aS)-7a-methyl-1,2,3,3a,4,5-hexahydroindene
CID 13074897
(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene
CID 162832197
4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
CID 565023
(8S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene
CID 173161783
(1S,5S,7R,9S,14S)-14-methyl-6,13-dioxatetracyclo[5.5.1.11,5.09,14]tetradec-11-ene
CID 11790385
(8S,9R,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-1-one
CID 57049057
(5R,8S,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-1-one
CID 68931494
(7S,8S,9S,10S,13S,14S)-7-bromo-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,1-diol
CID 67768221
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491

Frequently Asked Questions

What is the IUPAC name of 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane?
The IUPAC name of 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane (CID 145030122) is 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane.
What is the SMILES notation for 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane?
The canonical SMILES for 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane is CC.CC12C=CCC1CCC2.
What is the InChIKey of 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane?
The InChIKey is KEHJCFLMLAWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C2H6/c1-9-6-2-4-8(9)5-3-7-9;1-2/h2,6,8H,3-5,7H2,1H3;1-2H3.
What are the key properties of 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane?
6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-2,3,3a,4-tetrahydro-1H-pentalene;ethane is sourced from PubChem (CID 145030122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).