(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene

C11H16 — CID 18640208

IUPAC(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
SMILESCC1=C2CC2C2CCCC[C@@H]12
InChIInChI=1S/C11H16/c1-7-8-4-2-3-5-9(8)11-6-10(7)11/h8-9,11H,2-6H2,1H3/t8-,9?,11?/m0/s1
InChIKeyVAJJKJKZJMGNTB-SILCLGDVSA-N
MW148.25 g/mol
LogP3.14
Rot. Bonds

About (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene

(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene (PubChem CID 18640208) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene.

Molecular Properties

Compound Name(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
PubChem CID18640208
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
SMILESCC1=C2CC2C2CCCC[C@@H]12
InChIInChI=1S/C11H16/c1-7-8-4-2-3-5-9(8)11-6-10(7)11/h8-9,11H,2-6H2,1H3/t8-,9?,11?/m0/s1
InChIKeyVAJJKJKZJMGNTB-SILCLGDVSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The IUPAC name of (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene (CID 18640208) is (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene.
What is the SMILES notation for (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The canonical SMILES for (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene is CC1=C2CC2C2CCCC[C@@H]12.
What is the InChIKey of (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The InChIKey is VAJJKJKZJMGNTB-SILCLGDVSA-N. The full InChI is InChI=1S/C11H16/c1-7-8-4-2-3-5-9(8)11-6-10(7)11/h8-9,11H,2-6H2,1H3/t8-,9?,11?/m0/s1.
What are the key properties of (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene has a molecular weight of 148.25 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene is sourced from PubChem (CID 18640208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).