2,6-dimethylhept-5-enyl formate

C10H18O2 — CID 54277368

IUPAC2,6-dimethylhept-5-enyl formate
SMILESCC(C)=CCCC(C)COC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3)7-12-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKeyULJVYVNXXPACGD-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds6

About 2,6-dimethylhept-5-enyl formate

2,6-dimethylhept-5-enyl formate (PubChem CID 54277368) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,6-dimethylhept-5-enyl formate.

Molecular Properties

Compound Name2,6-dimethylhept-5-enyl formate
PubChem CID54277368
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,6-dimethylhept-5-enyl formate
SMILESCC(C)=CCCC(C)COC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3)7-12-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKeyULJVYVNXXPACGD-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl formate
CID 7778
Menthadienyl formate
CID 111516
[(3R)-3,7-dimethyloct-6-enyl] formate
CID 38989047
(S,e)-6-isopropyl-3,9-dimethyl-5,8-decadienyl acetate
CID 12790952
Myrcenylacetat
CID 109340
(5E)-6-isopropyl-3,9-dimethyl-5,8-decadienyl acetate
CID 12790951
3,9-Dimethyl-6-isopropyl-5,8-decadien-1-yl acetate
CID 53992706
alpha-Campholenyl formate
CID 6429181
Isogeranyl formate
CID 6430743
5-(Cyclohex-3-en-1-ylidene)-2-methylhexan-3-yl formate
CID 78098441
[(5E)-5-cyclohex-3-en-1-ylidene-2-methylhexan-3-yl] formate
CID 71525786
5-Octenyl formate
CID 129726937

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhept-5-enyl formate?
The IUPAC name of 2,6-dimethylhept-5-enyl formate (CID 54277368) is 2,6-dimethylhept-5-enyl formate.
What is the SMILES notation for 2,6-dimethylhept-5-enyl formate?
The canonical SMILES for 2,6-dimethylhept-5-enyl formate is CC(C)=CCCC(C)COC=O.
What is the InChIKey of 2,6-dimethylhept-5-enyl formate?
The InChIKey is ULJVYVNXXPACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3)7-12-8-11/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of 2,6-dimethylhept-5-enyl formate?
2,6-dimethylhept-5-enyl formate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhept-5-enyl formate is sourced from PubChem (CID 54277368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).