1-(1-adamantyl)hex-5-en-2-ol

C16H26O — CID 115804707

IUPAC1-(1-adamantyl)hex-5-en-2-ol
SMILESC=CCCC(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26O/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15,17H,1,3-11H2
InChIKeyOEGCDYIEYKVVGF-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.92
Rot. Bonds5

About 1-(1-adamantyl)hex-5-en-2-ol

1-(1-adamantyl)hex-5-en-2-ol (PubChem CID 115804707) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(1-adamantyl)hex-5-en-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)hex-5-en-2-ol
PubChem CID115804707
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(1-adamantyl)hex-5-en-2-ol
SMILESC=CCCC(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26O/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15,17H,1,3-11H2
InChIKeyOEGCDYIEYKVVGF-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)hex-5-en-2-amine
CID 104987696
1-(1-adamantyl)-3-cyclohexylpropan-2-ol
CID 115786207
1-(1-adamantyl)propan-2-ol
CID 5154050
1-prop-2-enyladamantane
CID 10954060
(2S)-1-aminohex-5-en-2-ol
CID 34176840
1-adamantylmethanol;hydrochloride
CID 141053946
1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol
CID 79987085
1-(hept-6-enoxymethyl)adamantane
CID 53248072
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
CID 115826136
1-cyclohexylhept-6-en-3-ol
CID 115804677
1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)hex-5-en-2-ol?
The IUPAC name of 1-(1-adamantyl)hex-5-en-2-ol (CID 115804707) is 1-(1-adamantyl)hex-5-en-2-ol.
What is the SMILES notation for 1-(1-adamantyl)hex-5-en-2-ol?
The canonical SMILES for 1-(1-adamantyl)hex-5-en-2-ol is C=CCCC(O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)hex-5-en-2-ol?
The InChIKey is OEGCDYIEYKVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15,17H,1,3-11H2.
What are the key properties of 1-(1-adamantyl)hex-5-en-2-ol?
1-(1-adamantyl)hex-5-en-2-ol has a molecular weight of 234.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)hex-5-en-2-ol is sourced from PubChem (CID 115804707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).