(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene

C14H26 — CID 102247681

IUPAC(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
SMILESC=C(C)C(C/C(C)=C/C(C)C)C(C)C
InChIInChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3/b13-8+
InChIKeyYKWTVQSOKZGCJC-MDWZMJQESA-N
MW194.36 g/mol
LogP4.83
Rot. Bonds5

About (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene

(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene (PubChem CID 102247681) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene.

Molecular Properties

Compound Name(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
PubChem CID102247681
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
SMILESC=C(C)C(C/C(C)=C/C(C)C)C(C)C
InChIInChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3/b13-8+
InChIKeyYKWTVQSOKZGCJC-MDWZMJQESA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-4-propan-2-ylhex-5-en-2-imine
CID 174356407
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
(Z)-2,4-dimethylhex-3-ene
CID 5463169
2,4-dimethylpent-2-en-1-ol
CID 54511819
2,4-dimethyl-6-methylidenenon-3-ene
CID 123168107
methane;(Z)-5-methyl-3-propan-2-ylhex-2-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(Z)-2,4,6-trimethylhept-3-ene;(E)-2,4,6-trimethylhept-3-ene
CID 162137230
2,4,6,6-tetramethylhept-3-ene
CID 76726617
2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
2,3,5-trimethylhexa-1,3-diene
CID 572950
2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
CID 123699260
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726
5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid
CID 106439369

Frequently Asked Questions

What is the IUPAC name of (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The IUPAC name of (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene (CID 102247681) is (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene.
What is the SMILES notation for (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The canonical SMILES for (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene is C=C(C)C(C/C(C)=C/C(C)C)C(C)C.
What is the InChIKey of (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
The InChIKey is YKWTVQSOKZGCJC-MDWZMJQESA-N. The full InChI is InChI=1S/C14H26/c1-10(2)8-13(7)9-14(11(3)4)12(5)6/h8,10,12,14H,3,9H2,1-2,4-7H3/b13-8+.
What are the key properties of (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene?
(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene has a molecular weight of 194.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene is sourced from PubChem (CID 102247681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).