5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H28O — CID 65147147

IUPAC5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCCCCCC1(O)CCCCc2ccccc21
InChIInChI=1S/C18H28O/c1-2-3-4-5-9-14-18(19)15-10-8-12-16-11-6-7-13-17(16)18/h6-7,11,13,19H,2-5,8-10,12,14-15H2,1H3
InChIKeyVHIPIYFMXLCNMH-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.96
Rot. Bonds6

About 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 65147147) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID65147147
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCCCCCCC1(O)CCCCc2ccccc21
InChIInChI=1S/C18H28O/c1-2-3-4-5-9-14-18(19)15-10-8-12-16-11-6-7-13-17(16)18/h6-7,11,13,19H,2-5,8-10,12,14-15H2,1H3
InChIKeyVHIPIYFMXLCNMH-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.96
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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Related Compounds

5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 65147607

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 65147147) is 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCCCCCCC1(O)CCCCc2ccccc21.
What is the InChIKey of 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is VHIPIYFMXLCNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-4-5-9-14-18(19)15-10-8-12-16-11-6-7-13-17(16)18/h6-7,11,13,19H,2-5,8-10,12,14-15H2,1H3.
What are the key properties of 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 260.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 65147147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).