(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene

C11H20O — CID 142883560

IUPAC(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene
SMILESC=C(C)/C=C(\OC)[C@H](C)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)7-11(12-6)10(5)9(3)4/h7,9-10H,1H2,2-6H3/b11-7-/t10-/m1/s1
InChIKeyQOUWHHSCNHUHCV-PAKSIRSJSA-N
MW168.28 g/mol
LogP3.38
Rot. Bonds4

About (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene

(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene (PubChem CID 142883560) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene
PubChem CID142883560
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene
SMILESC=C(C)/C=C(\OC)[C@H](C)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)7-11(12-6)10(5)9(3)4/h7,9-10H,1H2,2-6H3/b11-7-/t10-/m1/s1
InChIKeyQOUWHHSCNHUHCV-PAKSIRSJSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
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

(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
2,4-dimethoxypenta-1,3-diene
CID 90861204
6-methoxy-2,5-dimethylocta-1,6-diene
CID 123277577
2-methoxy-4-methylpenta-2,4-dienenitrile
CID 54546329
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
[3-methyl-1-tri(propan-2-yl)silyloxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
CID 102163574
(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
CID 166970711
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280

Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene?
The IUPAC name of (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene (CID 142883560) is (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene.
What is the SMILES notation for (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene?
The canonical SMILES for (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene is C=C(C)/C=C(\OC)[C@H](C)C(C)C.
What is the InChIKey of (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene?
The InChIKey is QOUWHHSCNHUHCV-PAKSIRSJSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)7-11(12-6)10(5)9(3)4/h7,9-10H,1H2,2-6H3/b11-7-/t10-/m1/s1.
What are the key properties of (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene?
(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene has a molecular weight of 168.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene is sourced from PubChem (CID 142883560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).