4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene

C18H26 — CID 177395531

IUPAC4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
SMILESC=C(C)CCc1c(C)ccc2c1CCCC2(C)C
InChIInChI=1S/C18H26/c1-13(2)8-10-15-14(3)9-11-17-16(15)7-6-12-18(17,4)5/h9,11H,1,6-8,10,12H2,2-5H3
InChIKeyWYOHYCXANJVFOA-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.12
Rot. Bonds3

About 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene

4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene (PubChem CID 177395531) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
PubChem CID177395531
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
SMILESC=C(C)CCc1c(C)ccc2c1CCCC2(C)C
InChIInChI=1S/C18H26/c1-13(2)8-10-15-14(3)9-11-17-16(15)7-6-12-18(17,4)5/h9,11H,1,6-8,10,12H2,2-5H3
InChIKeyWYOHYCXANJVFOA-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.12
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

[1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 51041115
3,3-dimethyl-6-(2-methylprop-2-enyl)-1,2-dihydroindene
CID 173288330
6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
CID 155697680
1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol
CID 168679698
3,3-dimethyl-5-(2-methylprop-2-enyl)-1,2-dihydroindene
CID 173288618
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol
CID 10613076
1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone
CID 10444533
7-benzyl-1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174658596
2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
CID 69442758
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene (CID 177395531) is 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene is C=C(C)CCc1c(C)ccc2c1CCCC2(C)C.
What is the InChIKey of 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene?
The InChIKey is WYOHYCXANJVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-13(2)8-10-15-14(3)9-11-17-16(15)7-6-12-18(17,4)5/h9,11H,1,6-8,10,12H2,2-5H3.
What are the key properties of 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene?
4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene has a molecular weight of 242.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 177395531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).