3-methylidene-8-prop-2-ynoxyoct-1-ene

C12H18O — CID 13485192

IUPAC3-methylidene-8-prop-2-ynoxyoct-1-ene
SMILESC#CCOCCCCCC(=C)C=C
InChIInChI=1S/C12H18O/c1-4-10-13-11-8-6-7-9-12(3)5-2/h1,5H,2-3,6-11H2
InChIKeyKLUDXKAPCLGGKD-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.94
Rot. Bonds8

About 3-methylidene-8-prop-2-ynoxyoct-1-ene

3-methylidene-8-prop-2-ynoxyoct-1-ene (PubChem CID 13485192) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-methylidene-8-prop-2-ynoxyoct-1-ene.

Molecular Properties

Compound Name3-methylidene-8-prop-2-ynoxyoct-1-ene
PubChem CID13485192
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-methylidene-8-prop-2-ynoxyoct-1-ene
SMILESC#CCOCCCCCC(=C)C=C
InChIInChI=1S/C12H18O/c1-4-10-13-11-8-6-7-9-12(3)5-2/h1,5H,2-3,6-11H2
InChIKeyKLUDXKAPCLGGKD-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-prop-2-ynoxyheptanamide
CID 91308975
12-prop-2-ynoxydodecan-1-ol
CID 21311697
5-prop-2-ynoxypentan-1-ol
CID 10796854
1-bromo-5-prop-2-ynoxypentane;1,5-dibromopentane;prop-2-yn-1-ol
CID 167544576
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-methylidenetridec-1-ene
CID 3776253
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102203586
tert-butyl 5-[2-(2-prop-2-ynoxyethoxy)ethoxy]pentanoate
CID 177270276
6-(2-methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
1-azido-11-prop-2-ynoxyundecane
CID 102411227
methyl 4-prop-2-ynoxybutanoate
CID 43378199
5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-8-prop-2-ynoxyoct-1-ene?
The IUPAC name of 3-methylidene-8-prop-2-ynoxyoct-1-ene (CID 13485192) is 3-methylidene-8-prop-2-ynoxyoct-1-ene.
What is the SMILES notation for 3-methylidene-8-prop-2-ynoxyoct-1-ene?
The canonical SMILES for 3-methylidene-8-prop-2-ynoxyoct-1-ene is C#CCOCCCCCC(=C)C=C.
What is the InChIKey of 3-methylidene-8-prop-2-ynoxyoct-1-ene?
The InChIKey is KLUDXKAPCLGGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-10-13-11-8-6-7-9-12(3)5-2/h1,5H,2-3,6-11H2.
What are the key properties of 3-methylidene-8-prop-2-ynoxyoct-1-ene?
3-methylidene-8-prop-2-ynoxyoct-1-ene has a molecular weight of 178.27 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-8-prop-2-ynoxyoct-1-ene is sourced from PubChem (CID 13485192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).