4-methyl-3-propyloxepan-2-ol

C10H20O2 — CID 91066243

IUPAC4-methyl-3-propyloxepan-2-ol
SMILESCCCC1C(C)CCCOC1O
InChIInChI=1S/C10H20O2/c1-3-5-9-8(2)6-4-7-12-10(9)11/h8-11H,3-7H2,1-2H3
InChIKeyQBAUBGYKGJJPPZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.17
Rot. Bonds2

About 4-methyl-3-propyloxepan-2-ol

4-methyl-3-propyloxepan-2-ol (PubChem CID 91066243) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methyl-3-propyloxepan-2-ol.

Molecular Properties

Compound Name4-methyl-3-propyloxepan-2-ol
PubChem CID91066243
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-methyl-3-propyloxepan-2-ol
SMILESCCCC1C(C)CCCOC1O
InChIInChI=1S/C10H20O2/c1-3-5-9-8(2)6-4-7-12-10(9)11/h8-11H,3-7H2,1-2H3
InChIKeyQBAUBGYKGJJPPZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclohexylmethoxy)-2,4-dimethylpentan-1-ol
CID 141837968
(2s,4r,7s)-7-i-Propyl-4-methyloxepan-2-ol
CID 129391285
1-Isobutoxyl-2-propyl-dodecanol
CID 129724065
Methoxymethoxy-2,6-dimethyl-nonan-1-ol
CID 129730315
(4r)-4-Isopropyl-7-methyloxepan-2-ol
CID 129752670
2-Oxepanol, 5-(1,1-dimethylethyl)-
CID 545294
3,4-Dibutyloxolan-2-ol
CID 71343661
(4R,7S)-4-methyl-7-propan-2-yloxepan-2-ol
CID 15298020
1-(2,3-Dimethyldecan-2-yloxy)ethanol
CID 20309129
1-(2-Ethylhexoxy)propan-1-ol
CID 21562188
5-Methyl-1-octoxyhexan-1-ol
CID 21622737
4,5-Diethyloctane-1,1-diol
CID 22666716

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propyloxepan-2-ol?
The IUPAC name of 4-methyl-3-propyloxepan-2-ol (CID 91066243) is 4-methyl-3-propyloxepan-2-ol.
What is the SMILES notation for 4-methyl-3-propyloxepan-2-ol?
The canonical SMILES for 4-methyl-3-propyloxepan-2-ol is CCCC1C(C)CCCOC1O.
What is the InChIKey of 4-methyl-3-propyloxepan-2-ol?
The InChIKey is QBAUBGYKGJJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9-8(2)6-4-7-12-10(9)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-propyloxepan-2-ol?
4-methyl-3-propyloxepan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propyloxepan-2-ol is sourced from PubChem (CID 91066243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).