3-methyl-3-propyl-1,2-dihydroindene

C13H18 — CID 145156021

IUPAC3-methyl-3-propyl-1,2-dihydroindene
SMILESCCCC1(C)CCc2ccccc21
InChIInChI=1S/C13H18/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3
InChIKeyKPANIPZGRMGZGA-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.69
Rot. Bonds2

About 3-methyl-3-propyl-1,2-dihydroindene

3-methyl-3-propyl-1,2-dihydroindene (PubChem CID 145156021) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-methyl-3-propyl-1,2-dihydroindene.

Molecular Properties

Compound Name3-methyl-3-propyl-1,2-dihydroindene
PubChem CID145156021
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3-methyl-3-propyl-1,2-dihydroindene
SMILESCCCC1(C)CCc2ccccc21
InChIInChI=1S/C13H18/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3
InChIKeyKPANIPZGRMGZGA-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
CID 146167069
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 14963826
3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
CID 144692126
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propyl-1,2-dihydroindene?
The IUPAC name of 3-methyl-3-propyl-1,2-dihydroindene (CID 145156021) is 3-methyl-3-propyl-1,2-dihydroindene.
What is the SMILES notation for 3-methyl-3-propyl-1,2-dihydroindene?
The canonical SMILES for 3-methyl-3-propyl-1,2-dihydroindene is CCCC1(C)CCc2ccccc21.
What is the InChIKey of 3-methyl-3-propyl-1,2-dihydroindene?
The InChIKey is KPANIPZGRMGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-9-13(2)10-8-11-6-4-5-7-12(11)13/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 3-methyl-3-propyl-1,2-dihydroindene?
3-methyl-3-propyl-1,2-dihydroindene has a molecular weight of 174.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propyl-1,2-dihydroindene is sourced from PubChem (CID 145156021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).