2-hexyl-1-propylnaphthalene

C19H26 — CID 173300538

IUPAC2-hexyl-1-propylnaphthalene
SMILESCCCCCCc1ccc2ccccc2c1CCC
InChIInChI=1S/C19H26/c1-3-5-6-7-11-16-14-15-17-12-8-9-13-19(17)18(16)10-4-2/h8-9,12-15H,3-7,10-11H2,1-2H3
InChIKeyBOBADVUBFNFUPW-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.92
Rot. Bonds7

About 2-hexyl-1-propylnaphthalene

2-hexyl-1-propylnaphthalene (PubChem CID 173300538) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-hexyl-1-propylnaphthalene.

Molecular Properties

Compound Name2-hexyl-1-propylnaphthalene
PubChem CID173300538
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name2-hexyl-1-propylnaphthalene
SMILESCCCCCCc1ccc2ccccc2c1CCC
InChIInChI=1S/C19H26/c1-3-5-6-7-11-16-14-15-17-12-8-9-13-19(17)18(16)10-4-2/h8-9,12-15H,3-7,10-11H2,1-2H3
InChIKeyBOBADVUBFNFUPW-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
1-ethyl-2-pentylnaphthalene
CID 173391903
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
1,2-dibutylnaphthalene;naphthalene
CID 157292740
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
2-decyl-1-methylnaphthalene
CID 154261310
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
1-hexyl-4-propylnaphthalene
CID 173269452

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-propylnaphthalene?
The IUPAC name of 2-hexyl-1-propylnaphthalene (CID 173300538) is 2-hexyl-1-propylnaphthalene.
What is the SMILES notation for 2-hexyl-1-propylnaphthalene?
The canonical SMILES for 2-hexyl-1-propylnaphthalene is CCCCCCc1ccc2ccccc2c1CCC.
What is the InChIKey of 2-hexyl-1-propylnaphthalene?
The InChIKey is BOBADVUBFNFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-3-5-6-7-11-16-14-15-17-12-8-9-13-19(17)18(16)10-4-2/h8-9,12-15H,3-7,10-11H2,1-2H3.
What are the key properties of 2-hexyl-1-propylnaphthalene?
2-hexyl-1-propylnaphthalene has a molecular weight of 254.42 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-propylnaphthalene is sourced from PubChem (CID 173300538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).