4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol

C14H26O2 — CID 65166935

IUPAC4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CCC2CCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-4-2-8-14(15,9-6-12)10-7-13-5-3-11-16-13/h12-13,15H,2-11H2,1H3
InChIKeyVZUQMKOPRZDGIY-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds3

About 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol

4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol (PubChem CID 65166935) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
PubChem CID65166935
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CCC2CCCO2)CC1
InChIInChI=1S/C14H26O2/c1-12-4-2-8-14(15,9-6-12)10-7-13-5-3-11-16-13/h12-13,15H,2-11H2,1H3
InChIKeyVZUQMKOPRZDGIY-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol
CID 164644045
6-[2-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-6-ol
CID 79331777
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
1-methyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
CID 65161962
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
2,2-dimethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-ol
CID 79847009
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol?
The IUPAC name of 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol (CID 65166935) is 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol?
The canonical SMILES for 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol is CC1CCCC(O)(CCC2CCCO2)CC1.
What is the InChIKey of 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol?
The InChIKey is VZUQMKOPRZDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12-4-2-8-14(15,9-6-12)10-7-13-5-3-11-16-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol?
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 65166935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).