buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene

C10H16O — CID 144612392

IUPACbuta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.C=CC(=C)O
InChIInChI=1S/C6H10.C4H6O/c1-4-5-6(2)3;1-3-4(2)5/h4-5H,2H2,1,3H3;3,5H,1-2H2/b5-4-;
InChIKeyBBNKWMBRXOEUSY-MKWAYWHRSA-N
MW152.24 g/mol
LogP3.38
Rot. Bonds2

About buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene

buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene (PubChem CID 144612392) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Namebuta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
PubChem CID144612392
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namebuta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.C=CC(=C)O
InChIInChI=1S/C6H10.C4H6O/c1-4-5-6(2)3;1-3-4(2)5/h4-5H,2H2,1,3H3;3,5H,1-2H2/b5-4-;
InChIKeyBBNKWMBRXOEUSY-MKWAYWHRSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.38
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

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
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene
CID 174661963
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
2-methylhepta-1,3,5-triene
CID 54571604
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
acetic acid;2-methylbuta-1,3-diene
CID 162329319
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene (CID 144612392) is buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene is C=C(C)/C=C\C.C=CC(=C)O.
What is the InChIKey of buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is BBNKWMBRXOEUSY-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H10.C4H6O/c1-4-5-6(2)3;1-3-4(2)5/h4-5H,2H2,1,3H3;3,5H,1-2H2/b5-4-;.
What are the key properties of buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene?
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 144612392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).