1-(1-adamantyl)cyclohex-2-en-1-ol

C16H24O — CID 11746527

IUPAC1-(1-adamantyl)cyclohex-2-en-1-ol
SMILESOC1(C23CC4CC(CC(C4)C2)C3)C=CCCC1
InChIInChI=1S/C16H24O/c17-16(4-2-1-3-5-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h2,4,12-14,17H,1,3,5-11H2
InChIKeyBKJSTLYMDWUJDU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.67
Rot. Bonds1

About 1-(1-adamantyl)cyclohex-2-en-1-ol

1-(1-adamantyl)cyclohex-2-en-1-ol (PubChem CID 11746527) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(1-adamantyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)cyclohex-2-en-1-ol
PubChem CID11746527
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(1-adamantyl)cyclohex-2-en-1-ol
SMILESOC1(C23CC4CC(CC(C4)C2)C3)C=CCCC1
InChIInChI=1S/C16H24O/c17-16(4-2-1-3-5-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h2,4,12-14,17H,1,3,5-11H2
InChIKeyBKJSTLYMDWUJDU-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.67
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

(5E)-bicyclo[8.8.8]hexacos-5-ene-1,10-diol
CID 177483439
(1R,3S,8aR)-3-deuterio-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-3a-ol
CID 136913170
1-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411359
2,2,6,6-tetrakis(1-adamantyl)piperidine
CID 177432653
adamantan-1-ol;azane
CID 66728775
1,2,3,4,7,8,9,9a-octahydrobenzo[7]annulen-4a-ol
CID 10511273
4-(1-adamantyl)-1-bromopiperidin-4-ol
CID 22980508
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
(2E)-1-ethynylcyclododec-2-en-1-ol
CID 134887616
bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
CID 162048501
5-(1-adamantyl)adamantane-1,3-diol
CID 68810995
sodium 2,2,6,6-tetrakis(1-adamantyl)piperidin-1-ide
CID 177432652

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1-adamantyl)cyclohex-2-en-1-ol (CID 11746527) is 1-(1-adamantyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1-adamantyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1-adamantyl)cyclohex-2-en-1-ol is OC1(C23CC4CC(CC(C4)C2)C3)C=CCCC1.
What is the InChIKey of 1-(1-adamantyl)cyclohex-2-en-1-ol?
The InChIKey is BKJSTLYMDWUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c17-16(4-2-1-3-5-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h2,4,12-14,17H,1,3,5-11H2.
What are the key properties of 1-(1-adamantyl)cyclohex-2-en-1-ol?
1-(1-adamantyl)cyclohex-2-en-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11746527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).