(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol

C11H20O — CID 143347257

IUPAC(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol
SMILESCC/C(C)=C/C(=C(\C)O)C(C)C
InChIInChI=1S/C11H20O/c1-6-9(4)7-11(8(2)3)10(5)12/h7-8,12H,6H2,1-5H3/b9-7+,11-10-
InChIKeyDQUNAQHUDIROHE-GLYMIEGHSA-N
MW168.28 g/mol
LogP3.83
Rot. Bonds3

About (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol

(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol (PubChem CID 143347257) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol
PubChem CID143347257
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol
SMILESCC/C(C)=C/C(=C(\C)O)C(C)C
InChIInChI=1S/C11H20O/c1-6-9(4)7-11(8(2)3)10(5)12/h7-8,12H,6H2,1-5H3/b9-7+,11-10-
InChIKeyDQUNAQHUDIROHE-GLYMIEGHSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
CID 143103707
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(E)-3-methylpent-2-enoic acid
CID 5473433
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
CID 59007348
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704
(Z)-4-methylhex-3-en-2-one
CID 12930146
(E)-3,5-dimethyloct-3-ene
CID 169006712
(E)-3,5-dimethylhept-4-en-2-one
CID 87291087

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol (CID 143347257) is (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol is CC/C(C)=C/C(=C(\C)O)C(C)C.
What is the InChIKey of (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol?
The InChIKey is DQUNAQHUDIROHE-GLYMIEGHSA-N. The full InChI is InChI=1S/C11H20O/c1-6-9(4)7-11(8(2)3)10(5)12/h7-8,12H,6H2,1-5H3/b9-7+,11-10-.
What are the key properties of (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol?
(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol is sourced from PubChem (CID 143347257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).