2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol

C12H20O — CID 104809607

IUPAC2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
SMILESCC#CCCC1(O)CCCC1(C)C
InChIInChI=1S/C12H20O/c1-4-5-6-9-12(13)10-7-8-11(12,2)3/h13H,6-10H2,1-3H3
InChIKeyIQLYIYMAGCXLAF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds2

About 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol

2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol (PubChem CID 104809607) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
PubChem CID104809607
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
SMILESCC#CCCC1(O)CCCC1(C)C
InChIInChI=1S/C12H20O/c1-4-5-6-9-12(13)10-7-8-11(12,2)3/h13H,6-10H2,1-3H3
InChIKeyIQLYIYMAGCXLAF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833
3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol
CID 104809755
4-pent-3-ynylpiperidin-4-ol
CID 104809323
(1-pent-3-ynylcyclobutyl)methanamine
CID 130514795
1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
CID 45083258
3-pent-3-ynylazetidin-3-ol
CID 104809578
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320
1-(cyclopentylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79862326
(1-pent-3-ynylcyclopentyl)methanamine
CID 126977362
2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
CID 130673148
1-(2-ethylbutyl)-2,2-dimethylcyclopentan-1-ol
CID 82929328
2-methyl-2-pent-3-ynylazepane
CID 104806626

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol (CID 104809607) is 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol is CC#CCCC1(O)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol?
The InChIKey is IQLYIYMAGCXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-6-9-12(13)10-7-8-11(12,2)3/h13H,6-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol?
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol is sourced from PubChem (CID 104809607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).