2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol

C10H18O2 — CID 131846612

IUPAC2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol
SMILESCC1CCC(C(C)(C)O)=C(O)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7,11-12H,4-6H2,1-3H3
InChIKeyNFTLIBWZCLEKKS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.39
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol

2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol (PubChem CID 131846612) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol
PubChem CID131846612
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol
SMILESCC1CCC(C(C)(C)O)=C(O)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7,11-12H,4-6H2,1-3H3
InChIKeyNFTLIBWZCLEKKS-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol (CID 131846612) is 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol is CC1CCC(C(C)(C)O)=C(O)C1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol?
The InChIKey is NFTLIBWZCLEKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7,11-12H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol?
2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol is sourced from PubChem (CID 131846612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).