[(3R)-3,7-dimethyloct-6-enyl] formate

C11H20O2 — CID 38989047

IUPAC[(3R)-3,7-dimethyloct-6-enyl] formate
SMILESC[C@H](CCC=C(C)C)CCOC=O
InChIInChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3/t11-/m1/s1
InChIKeyDZNVIZQPWLDQHI-LLVKDONJSA-N
MW184.27 g/mol
LogP3.80
Rot. Bonds7

About [(3R)-3,7-dimethyloct-6-enyl] formate

[(3R)-3,7-dimethyloct-6-enyl] formate (PubChem CID 38989047) has the molecular formula C11H20O2 and a molecular weight of 184.27 g/mol. Its IUPAC name is [(3R)-3,7-dimethyloct-6-enyl] formate.

Molecular Properties

Compound Name[(3R)-3,7-dimethyloct-6-enyl] formate
PubChem CID38989047
Molecular FormulaC11H20O2
Molecular Weight184.27 g/mol
Exact Mass184.15
IUPAC Name[(3R)-3,7-dimethyloct-6-enyl] formate
SMILESC[C@H](CCC=C(C)C)CCOC=O
InChIInChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3/t11-/m1/s1
InChIKeyDZNVIZQPWLDQHI-LLVKDONJSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl Acetate
CID 9017
Citronellyl formate
CID 7778
Citronellyl propionate
CID 8834
Citronellyl butyrate
CID 8835
Citronellyl isobutyrate
CID 60985
Terpinyl formate
CID 16537
Citronellyl isovalerate
CID 111440
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
CID 6708682
Menthadienyl formate
CID 111516
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
Citronellol acetate, (S)-
CID 6999975
2-Octene, 8,8-dimethoxy-2,6-dimethyl-
CID 102507

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] formate?
The IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] formate (CID 38989047) is [(3R)-3,7-dimethyloct-6-enyl] formate.
What is the SMILES notation for [(3R)-3,7-dimethyloct-6-enyl] formate?
The canonical SMILES for [(3R)-3,7-dimethyloct-6-enyl] formate is C[C@H](CCC=C(C)C)CCOC=O.
What is the InChIKey of [(3R)-3,7-dimethyloct-6-enyl] formate?
The InChIKey is DZNVIZQPWLDQHI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3/t11-/m1/s1.
What are the key properties of [(3R)-3,7-dimethyloct-6-enyl] formate?
[(3R)-3,7-dimethyloct-6-enyl] formate has a molecular weight of 184.27 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,7-dimethyloct-6-enyl] formate is sourced from PubChem (CID 38989047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).