3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene

C15H20 — CID 153352135

IUPAC3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene
SMILESC=CC(C)C1=C(C)CC2=C1CC(C)C=C2
InChIInChI=1S/C15H20/c1-5-11(3)15-12(4)9-13-7-6-10(2)8-14(13)15/h5-7,10-11H,1,8-9H2,2-4H3
InChIKeyNBJDNOZBADKODE-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.42
Rot. Bonds2

About 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene

3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene (PubChem CID 153352135) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene
PubChem CID153352135
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene
SMILESC=CC(C)C1=C(C)CC2=C1CC(C)C=C2
InChIInChI=1S/C15H20/c1-5-11(3)15-12(4)9-13-7-6-10(2)8-14(13)15/h5-7,10-11H,1,8-9H2,2-4H3
InChIKeyNBJDNOZBADKODE-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene?
The IUPAC name of 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene (CID 153352135) is 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene.
What is the SMILES notation for 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene?
The canonical SMILES for 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene is C=CC(C)C1=C(C)CC2=C1CC(C)C=C2.
What is the InChIKey of 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene?
The InChIKey is NBJDNOZBADKODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-5-11(3)15-12(4)9-13-7-6-10(2)8-14(13)15/h5-7,10-11H,1,8-9H2,2-4H3.
What are the key properties of 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene?
3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene has a molecular weight of 200.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene is sourced from PubChem (CID 153352135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).