(E)-2-methylidenehex-4-en-1-ol

C7H12O — CID 15564150

IUPAC(E)-2-methylidenehex-4-en-1-ol
SMILESC=C(CO)C/C=C/C
InChIInChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h3-4,8H,2,5-6H2,1H3/b4-3+
InChIKeyGLAXQQQZSHDDJM-ONEGZZNKSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds3

About (E)-2-methylidenehex-4-en-1-ol

(E)-2-methylidenehex-4-en-1-ol (PubChem CID 15564150) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (E)-2-methylidenehex-4-en-1-ol.

Molecular Properties

Compound Name(E)-2-methylidenehex-4-en-1-ol
PubChem CID15564150
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(E)-2-methylidenehex-4-en-1-ol
SMILESC=C(CO)C/C=C/C
InChIInChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h3-4,8H,2,5-6H2,1H3/b4-3+
InChIKeyGLAXQQQZSHDDJM-ONEGZZNKSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4E)-2-methylhexa-1,4-diene
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2-methylidenehex-4-enyl 2-methylprop-2-enoate
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2-but-2-enoxyprop-2-en-1-ol
CID 57114953
3-methylhepta-2,5-dien-1-ol
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(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene
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(5Z)-hepta-1,5-dien-3-one
CID 13310111
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
buta-1,3-diene;(E)-pent-3-enoic acid
CID 140509123
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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylidenehex-4-en-1-ol?
The IUPAC name of (E)-2-methylidenehex-4-en-1-ol (CID 15564150) is (E)-2-methylidenehex-4-en-1-ol.
What is the SMILES notation for (E)-2-methylidenehex-4-en-1-ol?
The canonical SMILES for (E)-2-methylidenehex-4-en-1-ol is C=C(CO)C/C=C/C.
What is the InChIKey of (E)-2-methylidenehex-4-en-1-ol?
The InChIKey is GLAXQQQZSHDDJM-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h3-4,8H,2,5-6H2,1H3/b4-3+.
What are the key properties of (E)-2-methylidenehex-4-en-1-ol?
(E)-2-methylidenehex-4-en-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylidenehex-4-en-1-ol is sourced from PubChem (CID 15564150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).