5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one

C14H24O2 — CID 59143605

IUPAC5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(OCC1CC1)C(=O)CC(C)C
InChIInChI=1S/C14H24O2/c1-10(2)7-13(15)14(8-11(3)4)16-9-12-5-6-12/h10,12,14H,3,5-9H2,1-2,4H3
InChIKeyYDIIRKRBDZXJEI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds8

About 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one

5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one (PubChem CID 59143605) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one
PubChem CID59143605
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CC(OCC1CC1)C(=O)CC(C)C
InChIInChI=1S/C14H24O2/c1-10(2)7-13(15)14(8-11(3)4)16-9-12-5-6-12/h10,12,14H,3,5-9H2,1-2,4H3
InChIKeyYDIIRKRBDZXJEI-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Cyclopropylmethoxy)-2,2,7-trimethyloct-7-en-4-one
CID 59143536
5-Ethoxy-2,2,7-trimethyloct-7-en-4-one
CID 59143545
2,7-Dimethyl-5-propoxyoct-7-en-4-one
CID 59143578
2,7-Dimethyl-5-prop-2-enoxyoct-7-en-4-one
CID 59143594
2,2,7-Trimethyl-5-propoxyoct-7-en-4-one
CID 59143607
5-Ethoxy-2,7-dimethyloct-7-en-4-one
CID 59143670
5-(Cyclopentylmethoxy)-2,7-dimethyloct-7-en-4-one
CID 59143683
6-Methyl-4-(8-methylnona-1,8-dien-2-yloxy)heptan-3-one
CID 90785265
1-Cyclopropyl-1-ethoxynon-8-en-2-one
CID 107008397
3-Methoxy-2,7-dimethyloct-7-en-4-one
CID 114473740
3-Ethoxy-2,7-dimethyloct-7-en-4-one
CID 114473741
1-Cyclopropyl-1-methoxy-5-methylhex-5-en-2-one
CID 114473742

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one?
The IUPAC name of 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one (CID 59143605) is 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one?
The canonical SMILES for 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one is C=C(C)CC(OCC1CC1)C(=O)CC(C)C.
What is the InChIKey of 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one?
The InChIKey is YDIIRKRBDZXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)7-13(15)14(8-11(3)4)16-9-12-5-6-12/h10,12,14H,3,5-9H2,1-2,4H3.
What are the key properties of 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one?
5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one has a molecular weight of 224.34 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one is sourced from PubChem (CID 59143605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).