octane;4,5,6,7-tetrahydro-1H-indene

C17H30 — CID 175604170

IUPACoctane;4,5,6,7-tetrahydro-1H-indene
SMILESC1=CC2=C(C1)CCCC2.CCCCCCCC
InChIInChI=1S/C9H12.C8H18/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-8-6-4-2/h3,6H,1-2,4-5,7H2;3-8H2,1-2H3
InChIKeyHEPRTPCOKIIJPM-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.18
Rot. Bonds5

About octane;4,5,6,7-tetrahydro-1H-indene

octane;4,5,6,7-tetrahydro-1H-indene (PubChem CID 175604170) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is octane;4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Nameoctane;4,5,6,7-tetrahydro-1H-indene
PubChem CID175604170
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameoctane;4,5,6,7-tetrahydro-1H-indene
SMILESC1=CC2=C(C1)CCCC2.CCCCCCCC
InChIInChI=1S/C9H12.C8H18/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-8-6-4-2/h3,6H,1-2,4-5,7H2;3-8H2,1-2H3
InChIKeyHEPRTPCOKIIJPM-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 121218577
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cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
1,2-dihexylcyclohexene
CID 19795043
5-octadecyl-1H-indene
CID 90751202
1,2,3,4,5,6-hexahydrocyclopenta[b]azepine
CID 20608513
4-ethyl-4,5,6,7-tetrahydro-1H-indene
CID 22388845
2-butyl-5-cyclobutylidenecyclopenta-1,3-diene
CID 151775012
heptane;1-methyl-6-(1-methylpyrazol-3-yl)-2,3,4,7-tetrahydrocyclohepta[b]pyridine
CID 145091846
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772

Frequently Asked Questions

What is the IUPAC name of octane;4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of octane;4,5,6,7-tetrahydro-1H-indene (CID 175604170) is octane;4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for octane;4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for octane;4,5,6,7-tetrahydro-1H-indene is C1=CC2=C(C1)CCCC2.CCCCCCCC.
What is the InChIKey of octane;4,5,6,7-tetrahydro-1H-indene?
The InChIKey is HEPRTPCOKIIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H18/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-8-6-4-2/h3,6H,1-2,4-5,7H2;3-8H2,1-2H3.
What are the key properties of octane;4,5,6,7-tetrahydro-1H-indene?
octane;4,5,6,7-tetrahydro-1H-indene has a molecular weight of 234.43 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octane;4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 175604170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).