3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene

C14H18 — CID 144661541

IUPAC3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
SMILESC/C=C\C1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H18/c1-4-7-11-10-14(2,3)13-9-6-5-8-12(11)13/h4-9,11H,10H2,1-3H3/b7-4-
InChIKeyFXKQHNTUEUFQEF-DAXSKMNVSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds1

About 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene

3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene (PubChem CID 144661541) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
PubChem CID144661541
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
SMILESC/C=C\C1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H18/c1-4-7-11-10-14(2,3)13-9-6-5-8-12(11)13/h4-9,11H,10H2,1-3H3/b7-4-
InChIKeyFXKQHNTUEUFQEF-DAXSKMNVSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.03
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

(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
1-ethynyl-3,3-dimethyl-1,2-dihydroindene
CID 142633929
1-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 135037785
2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 123196615
4,4-dimethyl-1,2a,3,8b-tetrahydrocyclobuta[a]naphthalen-2-one
CID 81421411
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
1-(4-chlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 82026848
1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 66351408
(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82079114
1-ethyl-4,4-dimethyl-2,2a,3,8b-tetrahydro-1H-cyclobuta[a]naphthalen-2-amine
CID 81421665
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine
CID 133386604

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene?
The IUPAC name of 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene (CID 144661541) is 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene.
What is the SMILES notation for 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene?
The canonical SMILES for 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene is C/C=C\C1CC(C)(C)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene?
The InChIKey is FXKQHNTUEUFQEF-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H18/c1-4-7-11-10-14(2,3)13-9-6-5-8-12(11)13/h4-9,11H,10H2,1-3H3/b7-4-.
What are the key properties of 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene?
3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene is sourced from PubChem (CID 144661541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).