(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene

C13H18 — CID 58519935

IUPAC(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene
SMILESCC1=C/C=C\C(C)=C(C)/C(C)=C\1C
InChIInChI=1S/C13H18/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h6-8H,1-5H3/b7-6-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,13-12-
InChIKeyPCMLOVDEVVCOBJ-CXUNNILFSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds

About (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene (PubChem CID 58519935) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene
PubChem CID58519935
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene
SMILESCC1=C/C=C\C(C)=C(C)/C(C)=C\1C
InChIInChI=1S/C13H18/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h6-8H,1-5H3/b7-6-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,13-12-
InChIKeyPCMLOVDEVVCOBJ-CXUNNILFSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene with MolForge

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Related Compounds

(3Z,5Z)-1,2,3,4-tetramethylcycloocta-1,3,5,7-tetraene
CID 173070981
5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 13265824
1,2,3-trimethylpentalene
CID 166793534
1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
CID 131740907
3-methyl-1H-1-benzazocin-2-one
CID 74259383
1,2,3,7-tetramethylazepine
CID 139991248
methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
CID 73169366
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532
5-cyclopenta-2,4-dien-1-ylidene-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 11734602
5-methylcyclohexa-2,4-dien-1-one
CID 12976806
N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine
CID 141148731

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene (CID 58519935) is (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene is CC1=C/C=C\C(C)=C(C)/C(C)=C\1C.
What is the InChIKey of (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene?
The InChIKey is PCMLOVDEVVCOBJ-CXUNNILFSA-N. The full InChI is InChI=1S/C13H18/c1-9-7-6-8-10(2)12(4)13(5)11(9)3/h6-8H,1-5H3/b7-6-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,13-12-.
What are the key properties of (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 58519935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).