(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol

C11H20O2 — CID 87392782

IUPAC(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
SMILESCC(C)=CCC/C(C)=C\C(C)(O)O
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(4,12)13/h6,8,12-13H,5,7H2,1-4H3/b10-8-
InChIKeyNTQNKELNIRXDPG-NTMALXAHSA-N
MW184.28 g/mol
LogP2.38
Rot. Bonds4

About (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol

(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol (PubChem CID 87392782) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol.

Molecular Properties

Compound Name(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
PubChem CID87392782
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
SMILESCC(C)=CCC/C(C)=C\C(C)(O)O
InChIInChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(4,12)13/h6,8,12-13H,5,7H2,1-4H3/b10-8-
InChIKeyNTQNKELNIRXDPG-NTMALXAHSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
13-(2,6-dimethylhepta-1,5-dienyl)-13-iodo-2,6,10,16,20,24-hexamethylpentacosa-2,6,10,15,19,23-hexaene
CID 54091067
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
CID 126609123
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol?
The IUPAC name of (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol (CID 87392782) is (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol.
What is the SMILES notation for (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol?
The canonical SMILES for (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol is CC(C)=CCC/C(C)=C\C(C)(O)O.
What is the InChIKey of (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol?
The InChIKey is NTQNKELNIRXDPG-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(4,12)13/h6,8,12-13H,5,7H2,1-4H3/b10-8-.
What are the key properties of (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol?
(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol has a molecular weight of 184.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,8-dimethylnona-3,7-diene-2,2-diol is sourced from PubChem (CID 87392782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).