ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol

C14H28O — CID 142550241

IUPACethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol
SMILESC=C(C)/C(=C\C=C(C)C)CO.CC.CC
InChIInChI=1S/C10H16O.2C2H6/c1-8(2)5-6-10(7-11)9(3)4;2*1-2/h5-6,11H,3,7H2,1-2,4H3;2*1-2H3/b10-6-;;
InChIKeyULZQZJPQGJPBIN-LVLXLXDWSA-N
MW212.38 g/mol
LogP4.50
Rot. Bonds3

About ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol

ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol (PubChem CID 142550241) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Nameethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol
PubChem CID142550241
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Nameethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol
SMILESC=C(C)/C(=C\C=C(C)C)CO.CC.CC
InChIInChI=1S/C10H16O.2C2H6/c1-8(2)5-6-10(7-11)9(3)4;2*1-2/h5-6,11H,3,7H2,1-2,4H3;2*1-2H3/b10-6-;;
InChIKeyULZQZJPQGJPBIN-LVLXLXDWSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ipsdienol
CID 92301
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
CID 5319723
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
Isogeraniol
CID 5362876
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
2-Ethylhex-2-enol
CID 5362614
3-Methylpent-2-ene-1,5-diol
CID 5362855
Aspinotriol B
CID 24763080
(3E)-3,7-dimethylocta-3,6-dien-1-ol
CID 6536347
(2Z)-2-methyl-6-methylideneocta-2,7-dien-1-ol
CID 5352139
trans-Ocimenol
CID 6430998
2,3,7-Trimethylocta-2,6-dien-1-ol
CID 87400741

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol?
The IUPAC name of ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol (CID 142550241) is ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol.
What is the SMILES notation for ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol?
The canonical SMILES for ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol is C=C(C)/C(=C\C=C(C)C)CO.CC.CC.
What is the InChIKey of ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol?
The InChIKey is ULZQZJPQGJPBIN-LVLXLXDWSA-N. The full InChI is InChI=1S/C10H16O.2C2H6/c1-8(2)5-6-10(7-11)9(3)4;2*1-2/h5-6,11H,3,7H2,1-2,4H3;2*1-2H3/b10-6-;;.
What are the key properties of ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol?
ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol is sourced from PubChem (CID 142550241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).