1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene

C11H18 — CID 90786888

IUPAC1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene
SMILESC1CCC2CC3CC3CC2C1
InChIInChI=1S/C11H18/c1-2-4-9-6-11-7-10(11)5-8(9)3-1/h8-11H,1-7H2
InChIKeyZLYBLHHMSAFEGE-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene

1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene (PubChem CID 90786888) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene.

Molecular Properties

Compound Name1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene
PubChem CID90786888
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene
SMILESC1CCC2CC3CC3CC2C1
InChIInChI=1S/C11H18/c1-2-4-9-6-11-7-10(11)5-8(9)3-1/h8-11H,1-7H2
InChIKeyZLYBLHHMSAFEGE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene?
The IUPAC name of 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene (CID 90786888) is 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene.
What is the SMILES notation for 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene?
The canonical SMILES for 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene is C1CCC2CC3CC3CC2C1.
What is the InChIKey of 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene?
The InChIKey is ZLYBLHHMSAFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-4-9-6-11-7-10(11)5-8(9)3-1/h8-11H,1-7H2.
What are the key properties of 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene?
1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene is sourced from PubChem (CID 90786888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).