(3Z)-5-methylidenehepta-1,3-diene-2,6-diol

C8H12O2 — CID 143180515

IUPAC(3Z)-5-methylidenehepta-1,3-diene-2,6-diol
SMILESC=C(O)/C=C\C(=C)C(C)O
InChIInChI=1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h4-5,8-10H,1-2H2,3H3/b5-4-
InChIKeyDHCVDCJAYYAYMN-PLNGDYQASA-N
MW140.18 g/mol
LogP1.55
Rot. Bonds3

About (3Z)-5-methylidenehepta-1,3-diene-2,6-diol

(3Z)-5-methylidenehepta-1,3-diene-2,6-diol (PubChem CID 143180515) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3Z)-5-methylidenehepta-1,3-diene-2,6-diol.

Molecular Properties

Compound Name(3Z)-5-methylidenehepta-1,3-diene-2,6-diol
PubChem CID143180515
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3Z)-5-methylidenehepta-1,3-diene-2,6-diol
SMILESC=C(O)/C=C\C(=C)C(C)O
InChIInChI=1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h4-5,8-10H,1-2H2,3H3/b5-4-
InChIKeyDHCVDCJAYYAYMN-PLNGDYQASA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane
CID 143202133
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
CID 143019199
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
CID 166754770
(3Z)-5-propan-2-ylidenenona-1,3,8-triene-2,7-diol
CID 88529646
octa-1,3-diene-2,5-diol
CID 141007502
chromium;tetrakis(ethane-1,1-diol)
CID 59348393
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(3S)-3-hydroxy-2-methylidenebutanoic acid
CID 130723664
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylidenehepta-1,3-diene-2,6-diol?
The IUPAC name of (3Z)-5-methylidenehepta-1,3-diene-2,6-diol (CID 143180515) is (3Z)-5-methylidenehepta-1,3-diene-2,6-diol.
What is the SMILES notation for (3Z)-5-methylidenehepta-1,3-diene-2,6-diol?
The canonical SMILES for (3Z)-5-methylidenehepta-1,3-diene-2,6-diol is C=C(O)/C=C\C(=C)C(C)O.
What is the InChIKey of (3Z)-5-methylidenehepta-1,3-diene-2,6-diol?
The InChIKey is DHCVDCJAYYAYMN-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h4-5,8-10H,1-2H2,3H3/b5-4-.
What are the key properties of (3Z)-5-methylidenehepta-1,3-diene-2,6-diol?
(3Z)-5-methylidenehepta-1,3-diene-2,6-diol has a molecular weight of 140.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylidenehepta-1,3-diene-2,6-diol is sourced from PubChem (CID 143180515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).