(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene

C13H20O — CID 102264216

IUPAC(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
SMILESC#CCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C13H20O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h1,7,9H,6,8,10-11H2,2-4H3/b13-9-
InChIKeyNZWRILVCJIAXRF-LCYFTJDESA-N
MW192.30 g/mol
LogP3.33
Rot. Bonds6

About (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene

(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene (PubChem CID 102264216) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
PubChem CID102264216
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
SMILESC#CCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C13H20O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h1,7,9H,6,8,10-11H2,2-4H3/b13-9-
InChIKeyNZWRILVCJIAXRF-LCYFTJDESA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene with MolForge

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Related Compounds

3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
2,2-dimethyl-3-(3-methyl-5-prop-2-ynoxypent-3-enyl)oxirane
CID 71366566
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(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
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243

Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene?
The IUPAC name of (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene (CID 102264216) is (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene.
What is the SMILES notation for (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene?
The canonical SMILES for (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene is C#CCOC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene?
The InChIKey is NZWRILVCJIAXRF-LCYFTJDESA-N. The full InChI is InChI=1S/C13H20O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h1,7,9H,6,8,10-11H2,2-4H3/b13-9-.
What are the key properties of (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene?
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene has a molecular weight of 192.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene is sourced from PubChem (CID 102264216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).