1-chloro-2-decyl-2,3-dihydro-1H-indene

C19H29Cl — CID 63460402

IUPAC1-chloro-2-decyl-2,3-dihydro-1H-indene
SMILESCCCCCCCCCCC1Cc2ccccc2C1Cl
InChIInChI=1S/C19H29Cl/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19(17)20/h10-12,14,17,19H,2-9,13,15H2,1H3
InChIKeyPRSDBLZMQSNAQY-UHFFFAOYSA-N
MW292.89 g/mol
LogP6.67
Rot. Bonds9

About 1-chloro-2-decyl-2,3-dihydro-1H-indene

1-chloro-2-decyl-2,3-dihydro-1H-indene (PubChem CID 63460402) has the molecular formula C19H29Cl and a molecular weight of 292.89 g/mol. Its IUPAC name is 1-chloro-2-decyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-chloro-2-decyl-2,3-dihydro-1H-indene
PubChem CID63460402
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name1-chloro-2-decyl-2,3-dihydro-1H-indene
SMILESCCCCCCCCCCC1Cc2ccccc2C1Cl
InChIInChI=1S/C19H29Cl/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19(17)20/h10-12,14,17,19H,2-9,13,15H2,1H3
InChIKeyPRSDBLZMQSNAQY-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene
CID 104565875
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-5-ethylthiophene
CID 63460569
(5R,10aS)-5-undecyl-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
CID 44889799
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene
CID 63459323
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
CID 161415157
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-decyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-chloro-2-decyl-2,3-dihydro-1H-indene (CID 63460402) is 1-chloro-2-decyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-chloro-2-decyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-chloro-2-decyl-2,3-dihydro-1H-indene is CCCCCCCCCCC1Cc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-decyl-2,3-dihydro-1H-indene?
The InChIKey is PRSDBLZMQSNAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-2-3-4-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)19(17)20/h10-12,14,17,19H,2-9,13,15H2,1H3.
What are the key properties of 1-chloro-2-decyl-2,3-dihydro-1H-indene?
1-chloro-2-decyl-2,3-dihydro-1H-indene has a molecular weight of 292.89 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-decyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 63460402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).