[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol

C15H30O2 — CID 165489979

IUPAC[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol
SMILESCCCOC1(CO)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30O2/c1-5-11-17-15(12-16)9-7-13(8-10-15)14(3,4)6-2/h13,16H,5-12H2,1-4H3
InChIKeyFUDIDVWNLODQLJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.77
Rot. Bonds6

About [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol

[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol (PubChem CID 165489979) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol
PubChem CID165489979
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol
SMILESCCCOC1(CO)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30O2/c1-5-11-17-15(12-16)9-7-13(8-10-15)14(3,4)6-2/h13,16H,5-12H2,1-4H3
InChIKeyFUDIDVWNLODQLJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol?
The IUPAC name of [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol (CID 165489979) is [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol?
The canonical SMILES for [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol is CCCOC1(CO)CCC(C(C)(C)CC)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol?
The InChIKey is FUDIDVWNLODQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-11-17-15(12-16)9-7-13(8-10-15)14(3,4)6-2/h13,16H,5-12H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol?
[4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol has a molecular weight of 242.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-1-propoxycyclohexyl]methanol is sourced from PubChem (CID 165489979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).