2,3,3,4-tetramethyldec-1-ene-1,1-diol

C14H28O2 — CID 23080767

IUPAC2,3,3,4-tetramethyldec-1-ene-1,1-diol
SMILESCCCCCCC(C)C(C)(C)C(C)=C(O)O
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11(2)14(4,5)12(3)13(15)16/h11,15-16H,6-10H2,1-5H3
InChIKeyAKCHPPZEPSHOIW-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.97
Rot. Bonds7

About 2,3,3,4-tetramethyldec-1-ene-1,1-diol

2,3,3,4-tetramethyldec-1-ene-1,1-diol (PubChem CID 23080767) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,3,3,4-tetramethyldec-1-ene-1,1-diol.

Molecular Properties

Compound Name2,3,3,4-tetramethyldec-1-ene-1,1-diol
PubChem CID23080767
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,3,3,4-tetramethyldec-1-ene-1,1-diol
SMILESCCCCCCC(C)C(C)(C)C(C)=C(O)O
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11(2)14(4,5)12(3)13(15)16/h11,15-16H,6-10H2,1-5H3
InChIKeyAKCHPPZEPSHOIW-UHFFFAOYSA-N
XLogP4.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;2,3-dimethylundecan-2-amine
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CID 87793421
2-amino-3-methylheptadecan-2-ol
CID 88695872
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylhexadecan-2-amine
CID 87479269
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3,3,4-tetramethylnonadecane
CID 174953704
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3-dimethyltridecane-2-thiol
CID 175066611
3-methylheptadecane-2,2-diamine
CID 141040528

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethyldec-1-ene-1,1-diol?
The IUPAC name of 2,3,3,4-tetramethyldec-1-ene-1,1-diol (CID 23080767) is 2,3,3,4-tetramethyldec-1-ene-1,1-diol.
What is the SMILES notation for 2,3,3,4-tetramethyldec-1-ene-1,1-diol?
The canonical SMILES for 2,3,3,4-tetramethyldec-1-ene-1,1-diol is CCCCCCC(C)C(C)(C)C(C)=C(O)O.
What is the InChIKey of 2,3,3,4-tetramethyldec-1-ene-1,1-diol?
The InChIKey is AKCHPPZEPSHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-10-11(2)14(4,5)12(3)13(15)16/h11,15-16H,6-10H2,1-5H3.
What are the key properties of 2,3,3,4-tetramethyldec-1-ene-1,1-diol?
2,3,3,4-tetramethyldec-1-ene-1,1-diol has a molecular weight of 228.38 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethyldec-1-ene-1,1-diol is sourced from PubChem (CID 23080767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).