1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene

C14H20 — CID 148825764

IUPAC1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCCC1CC(C)C2C=CC=CC12
InChIInChI=1S/C14H20/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(12)13/h3,5-6,8-9,11-14H,1,4,7,10H2,2H3
InChIKeyOSRKPDHPNCHAMK-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.97
Rot. Bonds3

About 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene

1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 148825764) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID148825764
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC=CCCC1CC(C)C2C=CC=CC12
InChIInChI=1S/C14H20/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(12)13/h3,5-6,8-9,11-14H,1,4,7,10H2,2H3
InChIKeyOSRKPDHPNCHAMK-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.97
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

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 59637807
1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 146199533
4-but-3-enyl-3-methylcyclohexan-1-ol
CID 22909858
1-(1-cyclopentyl-3-methyl-2-propan-2-ylbutyl)-3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140674000
5-but-3-enyl-6-methylbicyclo[2.2.1]hept-2-ene
CID 123797135
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
CID 11815455
N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine
CID 140875543
1-[4-[2-[(1S,7aR)-3-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-5-chlorocyclohexa-2,4-dien-1-yl]propan-2-ol
CID 163681296
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
4-but-3-enyl-3-methylcyclohexan-1-one
CID 12571440

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene (CID 148825764) is 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene is C=CCCC1CC(C)C2C=CC=CC12.
What is the InChIKey of 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is OSRKPDHPNCHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(12)13/h3,5-6,8-9,11-14H,1,4,7,10H2,2H3.
What are the key properties of 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene?
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 188.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 148825764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).