(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene

C12H21Br — CID 143546119

IUPAC(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene
SMILESCC/C=C\C(=C(\Br)CC)C(C)(C)C
InChIInChI=1S/C12H21Br/c1-6-8-9-10(11(13)7-2)12(3,4)5/h8-9H,6-7H2,1-5H3/b9-8-,11-10-
InChIKeyHWYLCBVRWJZADQ-XESWYYRISA-N
MW245.20 g/mol
LogP5.06
Rot. Bonds3

About (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene

(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene (PubChem CID 143546119) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene
PubChem CID143546119
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene
SMILESCC/C=C\C(=C(\Br)CC)C(C)(C)C
InChIInChI=1S/C12H21Br/c1-6-8-9-10(11(13)7-2)12(3,4)5/h8-9H,6-7H2,1-5H3/b9-8-,11-10-
InChIKeyHWYLCBVRWJZADQ-XESWYYRISA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.20
LogP ≤ 55.06
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

(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
CID 145473647
(3Z)-N-tert-butylhexa-1,3-dien-2-amine
CID 155050644
(E,3R)-3-hydroxy-2,2-dimethyloct-5-en-4-one
CID 124705258
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
CID 88588845
(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine
CID 129213211
(E)-pent-2-enoic acid
CID 638122
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
3-bromo-4-ethylhex-3-ene
CID 134857735
2,2-dimethylpropyl pent-2-enoate
CID 141038283
(2E)-3-fluorohepta-2,4-diene
CID 143797404

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene?
The IUPAC name of (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene (CID 143546119) is (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene is CC/C=C\C(=C(\Br)CC)C(C)(C)C.
What is the InChIKey of (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene?
The InChIKey is HWYLCBVRWJZADQ-XESWYYRISA-N. The full InChI is InChI=1S/C12H21Br/c1-6-8-9-10(11(13)7-2)12(3,4)5/h8-9H,6-7H2,1-5H3/b9-8-,11-10-.
What are the key properties of (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene?
(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene has a molecular weight of 245.20 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene is sourced from PubChem (CID 143546119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).