1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol

C14H18O — CID 10921589

IUPAC1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
SMILESCC(C)(C)C#CC#CC1(O)C=CCCC1
InChIInChI=1S/C14H18O/c1-13(2,3)9-7-8-12-14(15)10-5-4-6-11-14/h5,10,15H,4,6,11H2,1-3H3
InChIKeyRTQXGDUBHCJJGU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.51
Rot. Bonds

About 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol

1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol (PubChem CID 10921589) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
PubChem CID10921589
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
SMILESCC(C)(C)C#CC#CC1(O)C=CCCC1
InChIInChI=1S/C14H18O/c1-13(2,3)9-7-8-12-14(15)10-5-4-6-11-14/h5,10,15H,4,6,11H2,1-3H3
InChIKeyRTQXGDUBHCJJGU-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-ethynylcyclododec-2-en-1-ol
CID 134887616
1-(5,5-dimethylhexa-1,3-diynyl)-3-(hydroxymethyl)cyclobutan-1-ol
CID 140823546
1-ethynylcyclopent-2-en-1-ol
CID 13184286
1-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411359
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
bis(1-tert-butylcyclohex-2-en-1-yl) carbonate
CID 175202256
1-pentan-2-ylcyclohex-2-en-1-ol
CID 107892794
1-heptylcyclohex-2-en-1-ol
CID 86052671
3,3-bis(tert-butylperoxy)cyclohexene
CID 141189915
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
3-methyl-3-methylcyclohexene
CID 163592791
1-(3,3-dimethylbut-1-ynyl)cyclobutan-1-ol;2-(3,3-dimethylbut-1-ynyl)spiro[3.3]heptan-2-ol
CID 158679716

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol (CID 10921589) is 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol is CC(C)(C)C#CC#CC1(O)C=CCCC1.
What is the InChIKey of 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol?
The InChIKey is RTQXGDUBHCJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-13(2,3)9-7-8-12-14(15)10-5-4-6-11-14/h5,10,15H,4,6,11H2,1-3H3.
What are the key properties of 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol?
1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10921589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).