(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C10H16O — CID 142105650

IUPAC(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C(C)/C=C(\C=C/C)C(C)O
InChIInChI=1S/C10H16O/c1-5-6-10(9(4)11)7-8(2)3/h5-7,9,11H,2H2,1,3-4H3/b6-5-,10-7+
InChIKeyUWIIPOWGOLNXSG-ZZWPSLBBSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 142105650) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID142105650
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C(C)/C=C(\C=C/C)C(C)O
InChIInChI=1S/C10H16O/c1-5-6-10(9(4)11)7-8(2)3/h5-7,9,11H,2H2,1,3-4H3/b6-5-,10-7+
InChIKeyUWIIPOWGOLNXSG-ZZWPSLBBSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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

(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142143144
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
CID 170210822
(3E)-4-(difluoromethyl)-2,6-dimethylhepta-1,3,5-triene
CID 88886456

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 142105650) is (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C=C(C)/C=C(\C=C/C)C(C)O.
What is the InChIKey of (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is UWIIPOWGOLNXSG-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-10(9(4)11)7-8(2)3/h5-7,9,11H,2H2,1,3-4H3/b6-5-,10-7+.
What are the key properties of (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 142105650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).