2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol

C15H30O2 — CID 123883784

IUPAC2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol
SMILESC=CCOC(O)C(C)(CC(C)(C)C)C(C)CC
InChIInChI=1S/C15H30O2/c1-8-10-17-13(16)15(7,12(3)9-2)11-14(4,5)6/h8,12-13,16H,1,9-11H2,2-7H3
InChIKeyFOJPKJHYJGFUFL-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.00
Rot. Bonds7

About 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol

2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol (PubChem CID 123883784) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol.

Molecular Properties

Compound Name2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol
PubChem CID123883784
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol
SMILESC=CCOC(O)C(C)(CC(C)(C)C)C(C)CC
InChIInChI=1S/C15H30O2/c1-8-10-17-13(16)15(7,12(3)9-2)11-14(4,5)6/h8,12-13,16H,1,9-11H2,2-7H3
InChIKeyFOJPKJHYJGFUFL-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol
CID 91316021
2,2,4-trimethyl-4-prop-2-enoxypentane
CID 118027020
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
4,4-dimethylhept-6-en-3-ol
CID 74440422
1-(3-butan-2-yl-3,5,5-trimethylhexan-2-yl)oxy-1-ethylcyclopentane
CID 123148317
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
3-prop-2-enoxybutane-1,2-diol
CID 14859753
2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid
CID 174554815
2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol
CID 155242968

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol?
The IUPAC name of 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol (CID 123883784) is 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol.
What is the SMILES notation for 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol?
The canonical SMILES for 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol is C=CCOC(O)C(C)(CC(C)(C)C)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol?
The InChIKey is FOJPKJHYJGFUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-8-10-17-13(16)15(7,12(3)9-2)11-14(4,5)6/h8,12-13,16H,1,9-11H2,2-7H3.
What are the key properties of 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol?
2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol is sourced from PubChem (CID 123883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).