heptane;2-methyl-2,3-dihydro-1H-inden-5-ol

C17H28O — CID 144683949

IUPACheptane;2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCC1Cc2ccc(O)cc2C1.CCCCCCC
InChIInChI=1S/C10H12O.C7H16/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-5-7-6-4-2/h2-3,6-7,11H,4-5H2,1H3;3-7H2,1-2H3
InChIKeyVFMVEFYRPMHTOI-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.10
Rot. Bonds4

About heptane;2-methyl-2,3-dihydro-1H-inden-5-ol

heptane;2-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 144683949) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is heptane;2-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Nameheptane;2-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID144683949
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Nameheptane;2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCC1Cc2ccc(O)cc2C1.CCCCCCC
InChIInChI=1S/C10H12O.C7H16/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-5-7-6-4-2/h2-3,6-7,11H,4-5H2,1H3;3-7H2,1-2H3
InChIKeyVFMVEFYRPMHTOI-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptane;2-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of heptane;2-methyl-2,3-dihydro-1H-inden-5-ol (CID 144683949) is heptane;2-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for heptane;2-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for heptane;2-methyl-2,3-dihydro-1H-inden-5-ol is CC1Cc2ccc(O)cc2C1.CCCCCCC.
What is the InChIKey of heptane;2-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VFMVEFYRPMHTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C7H16/c1-7-4-8-2-3-10(11)6-9(8)5-7;1-3-5-7-6-4-2/h2-3,6-7,11H,4-5H2,1H3;3-7H2,1-2H3.
What are the key properties of heptane;2-methyl-2,3-dihydro-1H-inden-5-ol?
heptane;2-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 248.41 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;2-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 144683949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).