1,5-bis(3-methylpentyl)naphthalene

C22H32 — CID 18760982

IUPAC1,5-bis(3-methylpentyl)naphthalene
SMILESCCC(C)CCc1cccc2c(CCC(C)CC)cccc12
InChIInChI=1S/C22H32/c1-5-17(3)13-15-19-9-7-12-22-20(10-8-11-21(19)22)16-14-18(4)6-2/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyHODNDHKYEWJSGI-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.80
Rot. Bonds8

About 1,5-bis(3-methylpentyl)naphthalene

1,5-bis(3-methylpentyl)naphthalene (PubChem CID 18760982) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1,5-bis(3-methylpentyl)naphthalene.

Molecular Properties

Compound Name1,5-bis(3-methylpentyl)naphthalene
PubChem CID18760982
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1,5-bis(3-methylpentyl)naphthalene
SMILESCCC(C)CCc1cccc2c(CCC(C)CC)cccc12
InChIInChI=1S/C22H32/c1-5-17(3)13-15-19-9-7-12-22-20(10-8-11-21(19)22)16-14-18(4)6-2/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyHODNDHKYEWJSGI-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-3-(3-methylpentyl)benzene
CID 161124006
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
1-(3-chloropentyl)naphthalene
CID 63460195
2-(3-methylpentyl)-N-methylsulfanylaniline
CID 143655612
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
1-naphthalen-1-ylpentan-3-ol
CID 2793924
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
4-(3-methylpentyl)phenol
CID 57225129

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3-methylpentyl)naphthalene?
The IUPAC name of 1,5-bis(3-methylpentyl)naphthalene (CID 18760982) is 1,5-bis(3-methylpentyl)naphthalene.
What is the SMILES notation for 1,5-bis(3-methylpentyl)naphthalene?
The canonical SMILES for 1,5-bis(3-methylpentyl)naphthalene is CCC(C)CCc1cccc2c(CCC(C)CC)cccc12.
What is the InChIKey of 1,5-bis(3-methylpentyl)naphthalene?
The InChIKey is HODNDHKYEWJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-5-17(3)13-15-19-9-7-12-22-20(10-8-11-21(19)22)16-14-18(4)6-2/h7-12,17-18H,5-6,13-16H2,1-4H3.
What are the key properties of 1,5-bis(3-methylpentyl)naphthalene?
1,5-bis(3-methylpentyl)naphthalene has a molecular weight of 296.50 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3-methylpentyl)naphthalene is sourced from PubChem (CID 18760982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).