3-methylidenehept-5-ene-2,4-diol

C8H14O2 — CID 90801903

IUPAC3-methylidenehept-5-ene-2,4-diol
SMILESC=C(C(C)O)C(O)C=CC
InChIInChI=1S/C8H14O2/c1-4-5-8(10)6(2)7(3)9/h4-5,7-10H,2H2,1,3H3
InChIKeyIFAPCMKASUVKBR-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds3

About 3-methylidenehept-5-ene-2,4-diol

3-methylidenehept-5-ene-2,4-diol (PubChem CID 90801903) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methylidenehept-5-ene-2,4-diol.

Molecular Properties

Compound Name3-methylidenehept-5-ene-2,4-diol
PubChem CID90801903
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methylidenehept-5-ene-2,4-diol
SMILESC=C(C(C)O)C(O)C=CC
InChIInChI=1S/C8H14O2/c1-4-5-8(10)6(2)7(3)9/h4-5,7-10H,2H2,1,3H3
InChIKeyIFAPCMKASUVKBR-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylhepta-2,5-dien-4-ol
CID 130124822
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(E,2S,3R)-3-methoxyhex-4-en-2-ol
CID 134939548
(Z)-3-propan-2-ylhex-4-en-2-ol
CID 90721826
N-[(Z)-pent-3-en-2-yl]methanimine
CID 144579517
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
4-methylpent-2-ene
CID 12659
(2Z,5E)-5-methylocta-2,5-dien-4-ol
CID 172570769
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142105650
2-methylocta-1,6-diene-3,5-diol
CID 173315140

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehept-5-ene-2,4-diol?
The IUPAC name of 3-methylidenehept-5-ene-2,4-diol (CID 90801903) is 3-methylidenehept-5-ene-2,4-diol.
What is the SMILES notation for 3-methylidenehept-5-ene-2,4-diol?
The canonical SMILES for 3-methylidenehept-5-ene-2,4-diol is C=C(C(C)O)C(O)C=CC.
What is the InChIKey of 3-methylidenehept-5-ene-2,4-diol?
The InChIKey is IFAPCMKASUVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-8(10)6(2)7(3)9/h4-5,7-10H,2H2,1,3H3.
What are the key properties of 3-methylidenehept-5-ene-2,4-diol?
3-methylidenehept-5-ene-2,4-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehept-5-ene-2,4-diol is sourced from PubChem (CID 90801903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).