4,4-dimethylhex-1-ene;propane-1,3-diol

C11H24O2 — CID 175263983

IUPAC4,4-dimethylhex-1-ene;propane-1,3-diol
SMILESC=CCC(C)(C)CC.OCCCO
InChIInChI=1S/C8H16.C3H8O2/c1-5-7-8(3,4)6-2;4-2-1-3-5/h5H,1,6-7H2,2-4H3;4-5H,1-3H2
InChIKeyZGHZANCBOKUCQQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.36
Rot. Bonds5

About 4,4-dimethylhex-1-ene;propane-1,3-diol

4,4-dimethylhex-1-ene;propane-1,3-diol (PubChem CID 175263983) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4,4-dimethylhex-1-ene;propane-1,3-diol.

Molecular Properties

Compound Name4,4-dimethylhex-1-ene;propane-1,3-diol
PubChem CID175263983
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name4,4-dimethylhex-1-ene;propane-1,3-diol
SMILESC=CCC(C)(C)CC.OCCCO
InChIInChI=1S/C8H16.C3H8O2/c1-5-7-8(3,4)6-2;4-2-1-3-5/h5H,1,6-7H2,2-4H3;4-5H,1-3H2
InChIKeyZGHZANCBOKUCQQ-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.36
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 4,4-dimethylhex-1-ene;propane-1,3-diol?
The IUPAC name of 4,4-dimethylhex-1-ene;propane-1,3-diol (CID 175263983) is 4,4-dimethylhex-1-ene;propane-1,3-diol.
What is the SMILES notation for 4,4-dimethylhex-1-ene;propane-1,3-diol?
The canonical SMILES for 4,4-dimethylhex-1-ene;propane-1,3-diol is C=CCC(C)(C)CC.OCCCO.
What is the InChIKey of 4,4-dimethylhex-1-ene;propane-1,3-diol?
The InChIKey is ZGHZANCBOKUCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C3H8O2/c1-5-7-8(3,4)6-2;4-2-1-3-5/h5H,1,6-7H2,2-4H3;4-5H,1-3H2.
What are the key properties of 4,4-dimethylhex-1-ene;propane-1,3-diol?
4,4-dimethylhex-1-ene;propane-1,3-diol has a molecular weight of 188.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhex-1-ene;propane-1,3-diol is sourced from PubChem (CID 175263983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).