(3-hexyl-2-methyloxolan-3-yl)methanol

C12H24O2 — CID 114535546

IUPAC(3-hexyl-2-methyloxolan-3-yl)methanol
SMILESCCCCCCC1(CO)CCOC1C
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-12(10-13)8-9-14-11(12)2/h11,13H,3-10H2,1-2H3
InChIKeyGTMIKBNPIGKDEC-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds6

About (3-hexyl-2-methyloxolan-3-yl)methanol

(3-hexyl-2-methyloxolan-3-yl)methanol (PubChem CID 114535546) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3-hexyl-2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-hexyl-2-methyloxolan-3-yl)methanol
PubChem CID114535546
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3-hexyl-2-methyloxolan-3-yl)methanol
SMILESCCCCCCC1(CO)CCOC1C
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-12(10-13)8-9-14-11(12)2/h11,13H,3-10H2,1-2H3
InChIKeyGTMIKBNPIGKDEC-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
3-heptyl-2-methyloxolan-3-ol
CID 82718796
2-methyl-3-pentyloxolan-3-ol
CID 82718337
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
CID 114535596
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
(4-octyloxan-4-yl)methanol
CID 66024090
3-butyl-2-methyloxolan-3-amine
CID 114535354
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol
CID 10657705
N-hexyl-2,3-dimethyloxolan-3-amine
CID 103581298

Frequently Asked Questions

What is the IUPAC name of (3-hexyl-2-methyloxolan-3-yl)methanol?
The IUPAC name of (3-hexyl-2-methyloxolan-3-yl)methanol (CID 114535546) is (3-hexyl-2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (3-hexyl-2-methyloxolan-3-yl)methanol?
The canonical SMILES for (3-hexyl-2-methyloxolan-3-yl)methanol is CCCCCCC1(CO)CCOC1C.
What is the InChIKey of (3-hexyl-2-methyloxolan-3-yl)methanol?
The InChIKey is GTMIKBNPIGKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-12(10-13)8-9-14-11(12)2/h11,13H,3-10H2,1-2H3.
What are the key properties of (3-hexyl-2-methyloxolan-3-yl)methanol?
(3-hexyl-2-methyloxolan-3-yl)methanol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 114535546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).