1-hex-5-enyl-3aH-indene

C15H18 — CID 22899034

IUPAC1-hex-5-enyl-3aH-indene
SMILESC=CCCCCC1=C2C=CC=CC2C=C1
InChIInChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h2,6-7,9-12,14H,1,3-5,8H2
InChIKeyKFRJLYFMQBTYNE-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.34
Rot. Bonds5

About 1-hex-5-enyl-3aH-indene

1-hex-5-enyl-3aH-indene (PubChem CID 22899034) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-hex-5-enyl-3aH-indene.

Molecular Properties

Compound Name1-hex-5-enyl-3aH-indene
PubChem CID22899034
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-hex-5-enyl-3aH-indene
SMILESC=CCCCCC1=C2C=CC=CC2C=C1
InChIInChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h2,6-7,9-12,14H,1,3-5,8H2
InChIKeyKFRJLYFMQBTYNE-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene
CID 136880184
9aH-benzo[7]annulen-5-ylmethanamine
CID 88809253
heptacosa-1,26-diene
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heptadeca-1,16-diene
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hept-6-enylbenzene
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4-hept-6-enyl-2H-triazole
CID 69116827
1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene
CID 91177623
2-oct-7-enylpyridine
CID 57031977
2-hex-5-enyl-7-pent-4-enylphenanthrene
CID 139836992
2-non-8-enyl-5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 69133066
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
4-tetradec-13-enylphenol
CID 157380665

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enyl-3aH-indene?
The IUPAC name of 1-hex-5-enyl-3aH-indene (CID 22899034) is 1-hex-5-enyl-3aH-indene.
What is the SMILES notation for 1-hex-5-enyl-3aH-indene?
The canonical SMILES for 1-hex-5-enyl-3aH-indene is C=CCCCCC1=C2C=CC=CC2C=C1.
What is the InChIKey of 1-hex-5-enyl-3aH-indene?
The InChIKey is KFRJLYFMQBTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h2,6-7,9-12,14H,1,3-5,8H2.
What are the key properties of 1-hex-5-enyl-3aH-indene?
1-hex-5-enyl-3aH-indene has a molecular weight of 198.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyl-3aH-indene is sourced from PubChem (CID 22899034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).