(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane

C15H26 — CID 144781203

IUPAC(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane
SMILESC=CCCC(=C)[C@@H]1C(C)CCCC1(C)C
InChIInChI=1S/C15H26/c1-6-7-9-12(2)14-13(3)10-8-11-15(14,4)5/h6,13-14H,1-2,7-11H2,3-5H3/t13?,14-/m1/s1
InChIKeySRPKCAYKBCPRAQ-ARLHGKGLSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds4

About (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane

(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane (PubChem CID 144781203) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane
PubChem CID144781203
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane
SMILESC=CCCC(=C)[C@@H]1C(C)CCCC1(C)C
InChIInChI=1S/C15H26/c1-6-7-9-12(2)14-13(3)10-8-11-15(14,4)5/h6,13-14H,1-2,7-11H2,3-5H3/t13?,14-/m1/s1
InChIKeySRPKCAYKBCPRAQ-ARLHGKGLSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane?
The IUPAC name of (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane (CID 144781203) is (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane.
What is the SMILES notation for (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane?
The canonical SMILES for (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane is C=CCCC(=C)[C@@H]1C(C)CCCC1(C)C.
What is the InChIKey of (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane?
The InChIKey is SRPKCAYKBCPRAQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H26/c1-6-7-9-12(2)14-13(3)10-8-11-15(14,4)5/h6,13-14H,1-2,7-11H2,3-5H3/t13?,14-/m1/s1.
What are the key properties of (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane?
(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 144781203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).