1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene

C20H22 — CID 163489570

IUPAC1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
SMILESCC1(c2ccc3ccccc3c2C2CCCCC2)C=C1
InChIInChI=1S/C20H22/c1-20(13-14-20)18-12-11-15-7-5-6-10-17(15)19(18)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3
InChIKeyCLKWKZCLYJFOSK-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.72
Rot. Bonds2

About 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene

1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene (PubChem CID 163489570) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
PubChem CID163489570
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
SMILESCC1(c2ccc3ccccc3c2C2CCCCC2)C=C1
InChIInChI=1S/C20H22/c1-20(13-14-20)18-12-11-15-7-5-6-10-17(15)19(18)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3
InChIKeyCLKWKZCLYJFOSK-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.72
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

cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705994
1-cyclohexylnaphthalene-2-sulfonate
CID 18989047
1-cyclopropylnaphthalen-2-amine
CID 170561306
3-cyclopentylphenanthrene
CID 173264329
9-(4-cyclohexyl-3-methylnaphthalen-2-yl)-9H-fluorene
CID 87492539
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
CID 87492929
1-cycloundecylisoquinoline
CID 137392148
15-cyclohexyl-2-methyl-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;ethane
CID 144559182
2-cyclopentylnaphthalene-1-thiol
CID 67281948
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
CID 173098398
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene?
The IUPAC name of 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene (CID 163489570) is 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene.
What is the SMILES notation for 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene?
The canonical SMILES for 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene is CC1(c2ccc3ccccc3c2C2CCCCC2)C=C1.
What is the InChIKey of 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene?
The InChIKey is CLKWKZCLYJFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-20(13-14-20)18-12-11-15-7-5-6-10-17(15)19(18)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3.
What are the key properties of 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene?
1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene has a molecular weight of 262.40 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene is sourced from PubChem (CID 163489570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).