1-[(E)-hept-5-enyl]-1-methoxycyclobutane

C12H22O — CID 143807088

IUPAC1-[(E)-hept-5-enyl]-1-methoxycyclobutane
SMILESC/C=C/CCCCC1(OC)CCC1
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-9-12(13-2)10-8-11-12/h3-4H,5-11H2,1-2H3/b4-3+
InChIKeyDFEWCWPBUSFNEH-ONEGZZNKSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds6

About 1-[(E)-hept-5-enyl]-1-methoxycyclobutane

1-[(E)-hept-5-enyl]-1-methoxycyclobutane (PubChem CID 143807088) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(E)-hept-5-enyl]-1-methoxycyclobutane.

Molecular Properties

Compound Name1-[(E)-hept-5-enyl]-1-methoxycyclobutane
PubChem CID143807088
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-[(E)-hept-5-enyl]-1-methoxycyclobutane
SMILESC/C=C/CCCCC1(OC)CCC1
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-9-12(13-2)10-8-11-12/h3-4H,5-11H2,1-2H3/b4-3+
InChIKeyDFEWCWPBUSFNEH-ONEGZZNKSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-propylcyclobutane
CID 118668756
1-methoxy-1-(4-methylpentyl)cyclopentane
CID 21337503
hentriaconta-2,10,29-triene
CID 150025785
10-chlorodec-2-ene
CID 54299561
(1-methoxycyclobutyl)methanamine
CID 66072375
12-chlorododec-2-ene
CID 56977389
(E)-tetradec-12-enal
CID 5353009
2-(1-methoxycycloheptyl)ethanamine
CID 83905895
3-(1-methoxycyclobutyl)propanimidamide
CID 131219677
(Z)-oct-2-ene
CID 5356796
N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine
CID 103556559
5-[(E)-hexadec-14-enyl]-5-methoxyfuran-2-one
CID 14775740

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-5-enyl]-1-methoxycyclobutane?
The IUPAC name of 1-[(E)-hept-5-enyl]-1-methoxycyclobutane (CID 143807088) is 1-[(E)-hept-5-enyl]-1-methoxycyclobutane.
What is the SMILES notation for 1-[(E)-hept-5-enyl]-1-methoxycyclobutane?
The canonical SMILES for 1-[(E)-hept-5-enyl]-1-methoxycyclobutane is C/C=C/CCCCC1(OC)CCC1.
What is the InChIKey of 1-[(E)-hept-5-enyl]-1-methoxycyclobutane?
The InChIKey is DFEWCWPBUSFNEH-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-7-9-12(13-2)10-8-11-12/h3-4H,5-11H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-hept-5-enyl]-1-methoxycyclobutane?
1-[(E)-hept-5-enyl]-1-methoxycyclobutane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-5-enyl]-1-methoxycyclobutane is sourced from PubChem (CID 143807088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).