[4-(2-methylidenebutoxy)cyclohexyl]methanol

C12H22O2 — CID 106825271

IUPAC[4-(2-methylidenebutoxy)cyclohexyl]methanol
SMILESC=C(CC)COC1CCC(CO)CC1
InChIInChI=1S/C12H22O2/c1-3-10(2)9-14-12-6-4-11(8-13)5-7-12/h11-13H,2-9H2,1H3
InChIKeyHQUNCSQKUCMMCC-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.52
Rot. Bonds5

About [4-(2-methylidenebutoxy)cyclohexyl]methanol

[4-(2-methylidenebutoxy)cyclohexyl]methanol (PubChem CID 106825271) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [4-(2-methylidenebutoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-methylidenebutoxy)cyclohexyl]methanol
PubChem CID106825271
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[4-(2-methylidenebutoxy)cyclohexyl]methanol
SMILESC=C(CC)COC1CCC(CO)CC1
InChIInChI=1S/C12H22O2/c1-3-10(2)9-14-12-6-4-11(8-13)5-7-12/h11-13H,2-9H2,1H3
InChIKeyHQUNCSQKUCMMCC-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylidenebutoxy)cyclohexyl]methanol?
The IUPAC name of [4-(2-methylidenebutoxy)cyclohexyl]methanol (CID 106825271) is [4-(2-methylidenebutoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(2-methylidenebutoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(2-methylidenebutoxy)cyclohexyl]methanol is C=C(CC)COC1CCC(CO)CC1.
What is the InChIKey of [4-(2-methylidenebutoxy)cyclohexyl]methanol?
The InChIKey is HQUNCSQKUCMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-10(2)9-14-12-6-4-11(8-13)5-7-12/h11-13H,2-9H2,1H3.
What are the key properties of [4-(2-methylidenebutoxy)cyclohexyl]methanol?
[4-(2-methylidenebutoxy)cyclohexyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylidenebutoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).