[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol

C11H18O3 — CID 168866006

IUPAC[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol
SMILESCC1(CO)CCC(C2OC=CO2)CC1
InChIInChI=1S/C11H18O3/c1-11(8-12)4-2-9(3-5-11)10-13-6-7-14-10/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyTYKHNFOHJHGPOV-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.02
Rot. Bonds2

About [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol

[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol (PubChem CID 168866006) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol
PubChem CID168866006
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol
SMILESCC1(CO)CCC(C2OC=CO2)CC1
InChIInChI=1S/C11H18O3/c1-11(8-12)4-2-9(3-5-11)10-13-6-7-14-10/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyTYKHNFOHJHGPOV-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol?
The IUPAC name of [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol (CID 168866006) is [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol.
What is the SMILES notation for [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol?
The canonical SMILES for [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol is CC1(CO)CCC(C2OC=CO2)CC1.
What is the InChIKey of [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol?
The InChIKey is TYKHNFOHJHGPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(8-12)4-2-9(3-5-11)10-13-6-7-14-10/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol?
[4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol has a molecular weight of 198.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxol-2-yl)-1-methylcyclohexyl]methanol is sourced from PubChem (CID 168866006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).