2-pentyl-1-propylnaphthalene

C18H24 — CID 173391876

IUPAC2-pentyl-1-propylnaphthalene
SMILESCCCCCc1ccc2ccccc2c1CCC
InChIInChI=1S/C18H24/c1-3-5-6-10-15-13-14-16-11-7-8-12-18(16)17(15)9-4-2/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyHVMBPXWCTJALFP-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.53
Rot. Bonds6

About 2-pentyl-1-propylnaphthalene

2-pentyl-1-propylnaphthalene (PubChem CID 173391876) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-pentyl-1-propylnaphthalene.

Molecular Properties

Compound Name2-pentyl-1-propylnaphthalene
PubChem CID173391876
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-pentyl-1-propylnaphthalene
SMILESCCCCCc1ccc2ccccc2c1CCC
InChIInChI=1S/C18H24/c1-3-5-6-10-15-13-14-16-11-7-8-12-18(16)17(15)9-4-2/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyHVMBPXWCTJALFP-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.53
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-hexyl-1-propylnaphthalene
CID 173300538
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-dibutylnaphthalene;naphthalene
CID 157292740
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2-decyl-1-methylnaphthalene
CID 154261310
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
2-undecylnaphthalen-1-ol
CID 139729579

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-propylnaphthalene?
The IUPAC name of 2-pentyl-1-propylnaphthalene (CID 173391876) is 2-pentyl-1-propylnaphthalene.
What is the SMILES notation for 2-pentyl-1-propylnaphthalene?
The canonical SMILES for 2-pentyl-1-propylnaphthalene is CCCCCc1ccc2ccccc2c1CCC.
What is the InChIKey of 2-pentyl-1-propylnaphthalene?
The InChIKey is HVMBPXWCTJALFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-3-5-6-10-15-13-14-16-11-7-8-12-18(16)17(15)9-4-2/h7-8,11-14H,3-6,9-10H2,1-2H3.
What are the key properties of 2-pentyl-1-propylnaphthalene?
2-pentyl-1-propylnaphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-propylnaphthalene is sourced from PubChem (CID 173391876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).