ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene

C14H22 — CID 145446827

IUPACethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene
SMILESCC.CC1CCC2=CC3CC3C=C2C1
InChIInChI=1S/C12H16.C2H6/c1-8-2-3-9-5-11-7-12(11)6-10(9)4-8;1-2/h5-6,8,11-12H,2-4,7H2,1H3;1-2H3
InChIKeyNXKYIEAHZJHXHF-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene

ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene (PubChem CID 145446827) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene.

Molecular Properties

Compound Nameethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene
PubChem CID145446827
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene
SMILESCC.CC1CCC2=CC3CC3C=C2C1
InChIInChI=1S/C12H16.C2H6/c1-8-2-3-9-5-11-7-12(11)6-10(9)4-8;1-2/h5-6,8,11-12H,2-4,7H2,1H3;1-2H3
InChIKeyNXKYIEAHZJHXHF-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene?
The IUPAC name of ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene (CID 145446827) is ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene.
What is the SMILES notation for ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene?
The canonical SMILES for ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene is CC.CC1CCC2=CC3CC3C=C2C1.
What is the InChIKey of ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene?
The InChIKey is NXKYIEAHZJHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-8-2-3-9-5-11-7-12(11)6-10(9)4-8;1-2/h5-6,8,11-12H,2-4,7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene?
ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene is sourced from PubChem (CID 145446827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).