1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol

C13H18O2 — CID 102578273

IUPAC1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol
SMILESOC(C#CC1=CCCCC1)CC1(O)CC1
InChIInChI=1S/C13H18O2/c14-12(10-13(15)8-9-13)7-6-11-4-2-1-3-5-11/h4,12,14-15H,1-3,5,8-10H2
InChIKeyZMVDXQOKGOWYCD-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.77
Rot. Bonds2

About 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol

1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol (PubChem CID 102578273) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol
PubChem CID102578273
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol
SMILESOC(C#CC1=CCCCC1)CC1(O)CC1
InChIInChI=1S/C13H18O2/c14-12(10-13(15)8-9-13)7-6-11-4-2-1-3-5-11/h4,12,14-15H,1-3,5,8-10H2
InChIKeyZMVDXQOKGOWYCD-UHFFFAOYSA-N
XLogP1.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)hex-1-yn-3-ol
CID 16724041
1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 10398004
4-(cyclohexen-1-yl)-N,N-dimethylbut-3-yn-2-amine
CID 91031840
1-(3-methoxybut-1-ynyl)cyclohexene
CID 91390074
1-(3,3-diethoxyprop-1-ynyl)cyclohexene
CID 13244494
1-[3-[3-(cyclohexen-1-yl)prop-2-ynylsulfanyl]prop-1-ynyl]cyclohexene
CID 15500113
propan-2-yl 4-(cyclohexen-1-yl)-2-oxobut-3-ynoate
CID 11310564
1-(cyclohexen-1-yl)-3-methyl-4-sulfanylpent-1-yn-3-ol
CID 71500827
5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran
CID 11286929
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
[3-(cyclohexen-1-yl)-1-methylsulfanylprop-2-ynyl]-trimethylazanium;trifluoromethanesulfonate
CID 25041978

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol (CID 102578273) is 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol is OC(C#CC1=CCCCC1)CC1(O)CC1.
What is the InChIKey of 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol?
The InChIKey is ZMVDXQOKGOWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-12(10-13(15)8-9-13)7-6-11-4-2-1-3-5-11/h4,12,14-15H,1-3,5,8-10H2.
What are the key properties of 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol?
1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol is sourced from PubChem (CID 102578273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).