[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane

C14H22 — CID 171506572

IUPAC[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane
SMILESC=C(/C(=C\C=C/C)C(C)C)C1CCC1
InChIInChI=1S/C14H22/c1-5-6-10-14(11(2)3)12(4)13-8-7-9-13/h5-6,10-11,13H,4,7-9H2,1-3H3/b6-5-,14-10-
InChIKeyYAHCSRGPBACJHF-LYVGQXCBSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds4

About [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane

[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane (PubChem CID 171506572) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane.

Molecular Properties

Compound Name[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane
PubChem CID171506572
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane
SMILESC=C(/C(=C\C=C/C)C(C)C)C1CCC1
InChIInChI=1S/C14H22/c1-5-6-10-14(11(2)3)12(4)13-8-7-9-13/h5-6,10-11,13H,4,7-9H2,1-3H3/b6-5-,14-10-
InChIKeyYAHCSRGPBACJHF-LYVGQXCBSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hepta-1,3,5-trien-2-ylcyclohexane
CID 123932663
3-methylpenta-1,4-dien-2-ylcyclobutane
CID 142918238
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692
3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
CID 145351858
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
CID 178055171
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
1-cyclohexylpenta-1,3-dienylcyclohexane;phenol
CID 163535373
(2E)-2-[(Z)-but-2-enylidene]-3-methylbutanedioic acid
CID 139383119
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
3-cycloheptylbut-3-en-2-one
CID 89298761
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781

Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane?
The IUPAC name of [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane (CID 171506572) is [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane.
What is the SMILES notation for [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane?
The canonical SMILES for [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane is C=C(/C(=C\C=C/C)C(C)C)C1CCC1.
What is the InChIKey of [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane?
The InChIKey is YAHCSRGPBACJHF-LYVGQXCBSA-N. The full InChI is InChI=1S/C14H22/c1-5-6-10-14(11(2)3)12(4)13-8-7-9-13/h5-6,10-11,13H,4,7-9H2,1-3H3/b6-5-,14-10-.
What are the key properties of [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane?
[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane has a molecular weight of 190.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane is sourced from PubChem (CID 171506572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).