3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol

C12H20O — CID 107449756

IUPAC3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C12H20O/c1-4-7-12(13)8-5-6-11(9-12)10(2)3/h1,10-11,13H,5-9H2,2-3H3
InChIKeyGISZKLSBCPGGNV-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds2

About 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol

3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol (PubChem CID 107449756) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
PubChem CID107449756
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
SMILESC#CCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C12H20O/c1-4-7-12(13)8-5-6-11(9-12)10(2)3/h1,10-11,13H,5-9H2,2-3H3
InChIKeyGISZKLSBCPGGNV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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

cis-(1R,3S)-1-prop-2-ynylcyclohexane-1,3-diol
CID 13197750
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758857
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
1-prop-2-ynylcyclobutan-1-ol
CID 22129000
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
1-prop-2-ynylcyclododecan-1-ol
CID 134093446
CID 159549662
CID 159549662
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674
4-propyl-1-prop-2-ynylcycloheptan-1-ol
CID 65090248

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol?
The IUPAC name of 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol (CID 107449756) is 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol is C#CCC1(O)CCCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol?
The InChIKey is GISZKLSBCPGGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-7-12(13)8-5-6-11(9-12)10(2)3/h1,10-11,13H,5-9H2,2-3H3.
What are the key properties of 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol?
3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol is sourced from PubChem (CID 107449756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).