2,2-dimethyl-3-octoxybutan-1-ol

C14H30O2 — CID 18961352

IUPAC2,2-dimethyl-3-octoxybutan-1-ol
SMILESCCCCCCCCOC(C)C(C)(C)CO
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-16-13(2)14(3,4)12-15/h13,15H,5-12H2,1-4H3
InChIKeyJTZFLEPTPGMHAP-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.77
Rot. Bonds10

About 2,2-dimethyl-3-octoxybutan-1-ol

2,2-dimethyl-3-octoxybutan-1-ol (PubChem CID 18961352) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-octoxybutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-octoxybutan-1-ol
PubChem CID18961352
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2,2-dimethyl-3-octoxybutan-1-ol
SMILESCCCCCCCCOC(C)C(C)(C)CO
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-16-13(2)14(3,4)12-15/h13,15H,5-12H2,1-4H3
InChIKeyJTZFLEPTPGMHAP-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.77
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-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
2-(hydroxymethyl)-2-(1-octadec-9-enoxyethyl)propane-1,3-diol
CID 173408731
[2-(dihydroxyphosphanyloxymethyl)-2-(hydroxymethyl)-3-octadecoxybutyl] dihydrogen phosphite
CID 54219937
1-heptacontoxyethanol
CID 169098461
methane;2-octadecoxypropan-1-ol
CID 178185801
N,N-dimethyl-2,3-dioctoxybutan-2-amine
CID 141320340
1-undecoxypropan-1-ol
CID 139971923
2-hexadecoxypropane-1,3-diol
CID 12924931
1-octoxypropylarsane
CID 173268691
1-heptoxypropan-1-ol
CID 19598529
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-amino-1-octoxypropan-2-ol
CID 174604466

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-octoxybutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-octoxybutan-1-ol (CID 18961352) is 2,2-dimethyl-3-octoxybutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-octoxybutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-octoxybutan-1-ol is CCCCCCCCOC(C)C(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-octoxybutan-1-ol?
The InChIKey is JTZFLEPTPGMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-16-13(2)14(3,4)12-15/h13,15H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-octoxybutan-1-ol?
2,2-dimethyl-3-octoxybutan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-octoxybutan-1-ol is sourced from PubChem (CID 18961352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).