3-methylbuta-1,3-dien-2-yloxycyclopentane

C10H16O — CID 163541173

IUPAC3-methylbuta-1,3-dien-2-yloxycyclopentane
SMILESC=C(C)C(=C)OC1CCCC1
InChIInChI=1S/C10H16O/c1-8(2)9(3)11-10-6-4-5-7-10/h10H,1,3-7H2,2H3
InChIKeyQEFZLAXHPNYSEJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds3

About 3-methylbuta-1,3-dien-2-yloxycyclopentane

3-methylbuta-1,3-dien-2-yloxycyclopentane (PubChem CID 163541173) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylbuta-1,3-dien-2-yloxycyclopentane.

Molecular Properties

Compound Name3-methylbuta-1,3-dien-2-yloxycyclopentane
PubChem CID163541173
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylbuta-1,3-dien-2-yloxycyclopentane
SMILESC=C(C)C(=C)OC1CCCC1
InChIInChI=1S/C10H16O/c1-8(2)9(3)11-10-6-4-5-7-10/h10H,1,3-7H2,2H3
InChIKeyQEFZLAXHPNYSEJ-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
(6-acetyloxycyclodecyl) acetate
CID 539578
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
cycloheptadecyl acetate
CID 57215828
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608

Frequently Asked Questions

What is the IUPAC name of 3-methylbuta-1,3-dien-2-yloxycyclopentane?
The IUPAC name of 3-methylbuta-1,3-dien-2-yloxycyclopentane (CID 163541173) is 3-methylbuta-1,3-dien-2-yloxycyclopentane.
What is the SMILES notation for 3-methylbuta-1,3-dien-2-yloxycyclopentane?
The canonical SMILES for 3-methylbuta-1,3-dien-2-yloxycyclopentane is C=C(C)C(=C)OC1CCCC1.
What is the InChIKey of 3-methylbuta-1,3-dien-2-yloxycyclopentane?
The InChIKey is QEFZLAXHPNYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9(3)11-10-6-4-5-7-10/h10H,1,3-7H2,2H3.
What are the key properties of 3-methylbuta-1,3-dien-2-yloxycyclopentane?
3-methylbuta-1,3-dien-2-yloxycyclopentane has a molecular weight of 152.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbuta-1,3-dien-2-yloxycyclopentane is sourced from PubChem (CID 163541173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).