(3-methylcycloocten-1-yl) acetate

C11H18O2 — CID 73165739

IUPAC(3-methylcycloocten-1-yl) acetate
SMILESCC(=O)OC1=CC(C)CCCCC1
InChIInChI=1S/C11H18O2/c1-9-6-4-3-5-7-11(8-9)13-10(2)12/h8-9H,3-7H2,1-2H3
InChIKeyVVKLHGNXQBDCAW-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds1

About (3-methylcycloocten-1-yl) acetate

(3-methylcycloocten-1-yl) acetate (PubChem CID 73165739) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3-methylcycloocten-1-yl) acetate.

Molecular Properties

Compound Name(3-methylcycloocten-1-yl) acetate
PubChem CID73165739
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3-methylcycloocten-1-yl) acetate
SMILESCC(=O)OC1=CC(C)CCCCC1
InChIInChI=1S/C11H18O2/c1-9-6-4-3-5-7-11(8-9)13-10(2)12/h8-9H,3-7H2,1-2H3
InChIKeyVVKLHGNXQBDCAW-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-methylcyclopentadecen-1-yl] propanoate
CID 54742103
ethyl (3-methylcyclopentadecen-1-yl) carbonate
CID 68857639
(3-methylcyclopentadecen-1-yl) butanoate
CID 68818629
(3-methylcyclopentadecen-1-yl) pentanoate
CID 68817888
[(1E)-3-methylcyclopentadecen-1-yl] dodecanoate
CID 68818540
benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate
CID 87587531
(3-methylcyclopentadecen-1-yl) formate
CID 90796649
(1E)-3-methyl-1-propan-2-yloxycyclopentadecene
CID 68821401
(3-tert-butylcyclohexen-1-yl) acetate
CID 12692083
triethyl-(3-methylcyclopentadecen-1-yl)oxysilane
CID 68818523
cyclopenten-1-yl acetate
CID 4640893
2-[(1E,3R)-3-methylcyclopentadecen-1-yl]acetic acid
CID 87572402

Frequently Asked Questions

What is the IUPAC name of (3-methylcycloocten-1-yl) acetate?
The IUPAC name of (3-methylcycloocten-1-yl) acetate (CID 73165739) is (3-methylcycloocten-1-yl) acetate.
What is the SMILES notation for (3-methylcycloocten-1-yl) acetate?
The canonical SMILES for (3-methylcycloocten-1-yl) acetate is CC(=O)OC1=CC(C)CCCCC1.
What is the InChIKey of (3-methylcycloocten-1-yl) acetate?
The InChIKey is VVKLHGNXQBDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-6-4-3-5-7-11(8-9)13-10(2)12/h8-9H,3-7H2,1-2H3.
What are the key properties of (3-methylcycloocten-1-yl) acetate?
(3-methylcycloocten-1-yl) acetate has a molecular weight of 182.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcycloocten-1-yl) acetate is sourced from PubChem (CID 73165739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).