1-non-4-ynylcyclobutan-1-ol

C13H22O — CID 135040055

IUPAC1-non-4-ynylcyclobutan-1-ol
SMILESCCCCC#CCCCC1(O)CCC1
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-8-10-13(14)11-9-12-13/h14H,2-4,7-12H2,1H3
InChIKeyGXNOPAUSCLSCQA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds5

About 1-non-4-ynylcyclobutan-1-ol

1-non-4-ynylcyclobutan-1-ol (PubChem CID 135040055) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-non-4-ynylcyclobutan-1-ol.

Molecular Properties

Compound Name1-non-4-ynylcyclobutan-1-ol
PubChem CID135040055
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-non-4-ynylcyclobutan-1-ol
SMILESCCCCC#CCCCC1(O)CCC1
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-8-10-13(14)11-9-12-13/h14H,2-4,7-12H2,1H3
InChIKeyGXNOPAUSCLSCQA-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
1-heptadecylcyclopropan-1-ol
CID 2802251
3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
pentadeca-5,10-diyne
CID 15530767
4-dodecyloxepan-4-ol
CID 65151403
8-octylspiro[4.5]decan-8-ol
CID 114819460
4-butyloxan-4-ol
CID 65145508
1-butylcyclohexan-1-ol;prop-2-enoic acid
CID 146449698
1-oct-3-yn-2-ylcyclohexan-1-ol
CID 11805930
dodeca-4,7-diyne
CID 173074460

Frequently Asked Questions

What is the IUPAC name of 1-non-4-ynylcyclobutan-1-ol?
The IUPAC name of 1-non-4-ynylcyclobutan-1-ol (CID 135040055) is 1-non-4-ynylcyclobutan-1-ol.
What is the SMILES notation for 1-non-4-ynylcyclobutan-1-ol?
The canonical SMILES for 1-non-4-ynylcyclobutan-1-ol is CCCCC#CCCCC1(O)CCC1.
What is the InChIKey of 1-non-4-ynylcyclobutan-1-ol?
The InChIKey is GXNOPAUSCLSCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-10-13(14)11-9-12-13/h14H,2-4,7-12H2,1H3.
What are the key properties of 1-non-4-ynylcyclobutan-1-ol?
1-non-4-ynylcyclobutan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-4-ynylcyclobutan-1-ol is sourced from PubChem (CID 135040055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).