(5-heptyloxolan-2-yl)methanol

C12H24O2 — CID 11820121

IUPAC(5-heptyloxolan-2-yl)methanol
SMILESCCCCCCCC1CCC(CO)O1
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h11-13H,2-10H2,1H3
InChIKeyKBHUVDNMLLXYGK-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds7

About (5-heptyloxolan-2-yl)methanol

(5-heptyloxolan-2-yl)methanol (PubChem CID 11820121) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5-heptyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-heptyloxolan-2-yl)methanol
PubChem CID11820121
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5-heptyloxolan-2-yl)methanol
SMILESCCCCCCCC1CCC(CO)O1
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h11-13H,2-10H2,1H3
InChIKeyKBHUVDNMLLXYGK-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
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

[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
2-methyl-5-octadecyloxolane
CID 167511066
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
ethanol;2-pentadecyloxetane
CID 68938646
[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
CID 11023515
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
CID 20529882
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
2-octadecyloxetane
CID 168986267
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735

Frequently Asked Questions

What is the IUPAC name of (5-heptyloxolan-2-yl)methanol?
The IUPAC name of (5-heptyloxolan-2-yl)methanol (CID 11820121) is (5-heptyloxolan-2-yl)methanol.
What is the SMILES notation for (5-heptyloxolan-2-yl)methanol?
The canonical SMILES for (5-heptyloxolan-2-yl)methanol is CCCCCCCC1CCC(CO)O1.
What is the InChIKey of (5-heptyloxolan-2-yl)methanol?
The InChIKey is KBHUVDNMLLXYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h11-13H,2-10H2,1H3.
What are the key properties of (5-heptyloxolan-2-yl)methanol?
(5-heptyloxolan-2-yl)methanol has a molecular weight of 200.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-heptyloxolan-2-yl)methanol is sourced from PubChem (CID 11820121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).