1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene

C18H20 — CID 91445468

IUPAC1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene
SMILESCC1=C(C)c2ccccc2C(C2=CCCC=C2)C1
InChIInChI=1S/C18H20/c1-13-12-18(15-8-4-3-5-9-15)17-11-7-6-10-16(17)14(13)2/h4,6-11,18H,3,5,12H2,1-2H3
InChIKeyDVMRKIRRIGXNNB-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.24
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene

1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene (PubChem CID 91445468) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene
PubChem CID91445468
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene
SMILESCC1=C(C)c2ccccc2C(C2=CCCC=C2)C1
InChIInChI=1S/C18H20/c1-13-12-18(15-8-4-3-5-9-15)17-11-7-6-10-16(17)14(13)2/h4,6-11,18H,3,5,12H2,1-2H3
InChIKeyDVMRKIRRIGXNNB-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene (CID 91445468) is 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene is CC1=C(C)c2ccccc2C(C2=CCCC=C2)C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene?
The InChIKey is DVMRKIRRIGXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-13-12-18(15-8-4-3-5-9-15)17-11-7-6-10-16(17)14(13)2/h4,6-11,18H,3,5,12H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene?
1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3,4-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 91445468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).