2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene

C23H30 — CID 20500411

IUPAC2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
SMILESCCCCC1CC=C(c2ccc3cc(CCC)ccc3c2)CC1
InChIInChI=1S/C23H30/c1-3-5-7-18-8-11-20(12-9-18)22-15-14-21-16-19(6-4-2)10-13-23(21)17-22/h10-11,13-18H,3-9,12H2,1-2H3
InChIKeyTUYUBOVCODLOIA-UHFFFAOYSA-N
MW306.49 g/mol
LogP7.17
Rot. Bonds6

About 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene

2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene (PubChem CID 20500411) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene.

Molecular Properties

Compound Name2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
PubChem CID20500411
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
SMILESCCCCC1CC=C(c2ccc3cc(CCC)ccc3c2)CC1
InChIInChI=1S/C23H30/c1-3-5-7-18-8-11-20(12-9-18)22-15-14-21-16-19(6-4-2)10-13-23(21)17-22/h10-11,13-18H,3-9,12H2,1-2H3
InChIKeyTUYUBOVCODLOIA-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
[6-(4-heptylcyclohexen-1-yl)naphthalen-2-yl] acetate
CID 20500645
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene?
The IUPAC name of 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene (CID 20500411) is 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene.
What is the SMILES notation for 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene?
The canonical SMILES for 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene is CCCCC1CC=C(c2ccc3cc(CCC)ccc3c2)CC1.
What is the InChIKey of 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene?
The InChIKey is TUYUBOVCODLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-3-5-7-18-8-11-20(12-9-18)22-15-14-21-16-19(6-4-2)10-13-23(21)17-22/h10-11,13-18H,3-9,12H2,1-2H3.
What are the key properties of 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene?
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene has a molecular weight of 306.49 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene is sourced from PubChem (CID 20500411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).