1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene

C11H18 — CID 548931

IUPAC1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene
SMILESC1CCC23CC2CCCC3C1
InChIInChI=1S/C11H18/c1-2-7-11-8-10(11)6-3-5-9(11)4-1/h9-10H,1-8H2
InChIKeyFNQSFHJONXSIKP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.37
Rot. Bonds

About 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene

1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene (PubChem CID 548931) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene.

Molecular Properties

Compound Name1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene
PubChem CID548931
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene
SMILESC1CCC23CC2CCCC3C1
InChIInChI=1S/C11H18/c1-2-7-11-8-10(11)6-3-5-9(11)4-1/h9-10H,1-8H2
InChIKeyFNQSFHJONXSIKP-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 159223040
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CID 174024183
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(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
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(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
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Frequently Asked Questions

What is the IUPAC name of 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene?
The IUPAC name of 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene (CID 548931) is 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene.
What is the SMILES notation for 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene?
The canonical SMILES for 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene is C1CCC23CC2CCCC3C1.
What is the InChIKey of 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene?
The InChIKey is FNQSFHJONXSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-7-11-8-10(11)6-3-5-9(11)4-1/h9-10H,1-8H2.
What are the key properties of 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene?
1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene has a molecular weight of 150.26 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene is sourced from PubChem (CID 548931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).