1-(3-methyl-1-adamantyl)oct-7-en-1-ol

C19H32O — CID 107012329

IUPAC1-(3-methyl-1-adamantyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-17(20)19-12-15-9-16(13-19)11-18(2,10-15)14-19/h3,15-17,20H,1,4-14H2,2H3
InChIKeyVXLLVILXGLUPFU-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.09
Rot. Bonds7

About 1-(3-methyl-1-adamantyl)oct-7-en-1-ol

1-(3-methyl-1-adamantyl)oct-7-en-1-ol (PubChem CID 107012329) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-(3-methyl-1-adamantyl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1-adamantyl)oct-7-en-1-ol
PubChem CID107012329
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-(3-methyl-1-adamantyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-17(20)19-12-15-9-16(13-19)11-18(2,10-15)14-19/h3,15-17,20H,1,4-14H2,2H3
InChIKeyVXLLVILXGLUPFU-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
CID 104986903
N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
CID 104987277
1-(3-methyl-1-adamantyl)hex-4-yn-1-ol
CID 115833785
1-(3-methyl-1-adamantyl)-2-propan-2-yloxyethanol
CID 115821585
1-(3-methyl-1-adamantyl)hex-5-en-1-one
CID 114974744
1-(1-adamantyl)octan-1-ol
CID 63411073
1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
CID 107008628
1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
1-(1-adamantyl)pentan-1-ol
CID 584500
2-(4-iodophenyl)-1-(3-methyl-1-adamantyl)ethanol
CID 115802762
1-(3-methyl-1-adamantyl)prop-2-enylhydrazine
CID 105318044
4-[3-[(1S)-1-hydroxyheptyl]-1-adamantyl]phenol
CID 162770566

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-adamantyl)oct-7-en-1-ol?
The IUPAC name of 1-(3-methyl-1-adamantyl)oct-7-en-1-ol (CID 107012329) is 1-(3-methyl-1-adamantyl)oct-7-en-1-ol.
What is the SMILES notation for 1-(3-methyl-1-adamantyl)oct-7-en-1-ol?
The canonical SMILES for 1-(3-methyl-1-adamantyl)oct-7-en-1-ol is C=CCCCCCC(O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3-methyl-1-adamantyl)oct-7-en-1-ol?
The InChIKey is VXLLVILXGLUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-4-5-6-7-8-17(20)19-12-15-9-16(13-19)11-18(2,10-15)14-19/h3,15-17,20H,1,4-14H2,2H3.
What are the key properties of 1-(3-methyl-1-adamantyl)oct-7-en-1-ol?
1-(3-methyl-1-adamantyl)oct-7-en-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-adamantyl)oct-7-en-1-ol is sourced from PubChem (CID 107012329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).