1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene

C19H28 — CID 142132562

IUPAC1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene
SMILESCCCC(C)C(CC)C1=Cc2cc(C)ccc2C1C
InChIInChI=1S/C19H28/c1-6-8-14(4)17(7-2)19-12-16-11-13(3)9-10-18(16)15(19)5/h9-12,14-15,17H,6-8H2,1-5H3
InChIKeyWQPOHRKPALFVPX-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.96
Rot. Bonds5

About 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene

1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene (PubChem CID 142132562) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene.

Molecular Properties

Compound Name1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene
PubChem CID142132562
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene
SMILESCCCC(C)C(CC)C1=Cc2cc(C)ccc2C1C
InChIInChI=1S/C19H28/c1-6-8-14(4)17(7-2)19-12-16-11-13(3)9-10-18(16)15(19)5/h9-12,14-15,17H,6-8H2,1-5H3
InChIKeyWQPOHRKPALFVPX-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(2-chloro-5-methyl-1H-inden-1-yl)ethanol
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1,6-dimethyl-1,2-dihydronaphthalene
CID 11171128
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
3-(3-methylphenyl)pentan-2-ol
CID 130543430
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 142252199
(3R)-3,4-dimethylheptane
CID 59819300
lithium;1,5-dimethyl-1H-indene;hydride
CID 175183172
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 107897187

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene?
The IUPAC name of 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene (CID 142132562) is 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene.
What is the SMILES notation for 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene?
The canonical SMILES for 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene is CCCC(C)C(CC)C1=Cc2cc(C)ccc2C1C.
What is the InChIKey of 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene?
The InChIKey is WQPOHRKPALFVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-6-8-14(4)17(7-2)19-12-16-11-13(3)9-10-18(16)15(19)5/h9-12,14-15,17H,6-8H2,1-5H3.
What are the key properties of 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene?
1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene has a molecular weight of 256.43 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene is sourced from PubChem (CID 142132562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).