2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol

C14H28O2 — CID 88870818

IUPAC2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
SMILESC=CCC(C)(C)C(CO)C(C)(C)C(C)CO
InChIInChI=1S/C14H28O2/c1-7-8-13(3,4)12(10-16)14(5,6)11(2)9-15/h7,11-12,15-16H,1,8-10H2,2-6H3
InChIKeyMQRFSOHCKCHZAS-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.85
Rot. Bonds7

About 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol

2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol (PubChem CID 88870818) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
PubChem CID88870818
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
SMILESC=CCC(C)(C)C(CO)C(C)(C)C(C)CO
InChIInChI=1S/C14H28O2/c1-7-8-13(3,4)12(10-16)14(5,6)11(2)9-15/h7,11-12,15-16H,1,8-10H2,2-6H3
InChIKeyMQRFSOHCKCHZAS-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol?
The IUPAC name of 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol (CID 88870818) is 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol.
What is the SMILES notation for 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol?
The canonical SMILES for 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol is C=CCC(C)(C)C(CO)C(C)(C)C(C)CO.
What is the InChIKey of 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol?
The InChIKey is MQRFSOHCKCHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-8-13(3,4)12(10-16)14(5,6)11(2)9-15/h7,11-12,15-16H,1,8-10H2,2-6H3.
What are the key properties of 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol?
2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol has a molecular weight of 228.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol is sourced from PubChem (CID 88870818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).