1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene

C15H24 — CID 102100274

IUPAC1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene
SMILESCCCC1=C2CCCCC2=C(CCC)C1
InChIInChI=1S/C15H24/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-11H2,1-2H3
InChIKeyZIVDGTRXMNVCIQ-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.16
Rot. Bonds4

About 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene

1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene (PubChem CID 102100274) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene.

Molecular Properties

Compound Name1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene
PubChem CID102100274
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene
SMILESCCCC1=C2CCCCC2=C(CCC)C1
InChIInChI=1S/C15H24/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-11H2,1-2H3
InChIKeyZIVDGTRXMNVCIQ-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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trimethyl-(2-propylcyclopenten-1-yl)phosphanium
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1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
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[(1E)-2-pentylcyclotetradecen-1-yl]methanol
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(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
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1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
1-octylcyclohexene
CID 519088
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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene?
The IUPAC name of 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene (CID 102100274) is 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene.
What is the SMILES notation for 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene?
The canonical SMILES for 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene is CCCC1=C2CCCCC2=C(CCC)C1.
What is the InChIKey of 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene?
The InChIKey is ZIVDGTRXMNVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-11H2,1-2H3.
What are the key properties of 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene?
1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene has a molecular weight of 204.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene is sourced from PubChem (CID 102100274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).