[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol

C14H26O2 — CID 104510505

IUPAC[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
SMILESCCCC(C)CC1(CO)CCOC1C1CC1
InChIInChI=1S/C14H26O2/c1-3-4-11(2)9-14(10-15)7-8-16-13(14)12-5-6-12/h11-13,15H,3-10H2,1-2H3
InChIKeyXYMDHUHBMMVRBA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds6

About [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol

[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol (PubChem CID 104510505) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
PubChem CID104510505
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
SMILESCCCC(C)CC1(CO)CCOC1C1CC1
InChIInChI=1S/C14H26O2/c1-3-4-11(2)9-14(10-15)7-8-16-13(14)12-5-6-12/h11-13,15H,3-10H2,1-2H3
InChIKeyXYMDHUHBMMVRBA-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
1-(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)-N-methylmethanamine
CID 107897605
N-[(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)methyl]ethanamine
CID 114013911
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
CID 114535596
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510437

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol (CID 104510505) is [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol is CCCC(C)CC1(CO)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol?
The InChIKey is XYMDHUHBMMVRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-4-11(2)9-14(10-15)7-8-16-13(14)12-5-6-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol?
[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol is sourced from PubChem (CID 104510505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).