(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene

C14H22 — CID 163075641

IUPAC(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
SMILESC=C1/C=C/[C@H](C(C)C)CC/C=C/CC1
InChIInChI=1S/C14H22/c1-12(2)14-9-7-5-4-6-8-13(3)10-11-14/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4+,11-10+/t14-/m1/s1
InChIKeyCPEKJYOEFKSMQG-GXGWCTIXSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds1

About (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene

(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene (PubChem CID 163075641) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene.

Molecular Properties

Compound Name(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
PubChem CID163075641
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
SMILESC=C1/C=C/[C@H](C(C)C)CC/C=C/CC1
InChIInChI=1S/C14H22/c1-12(2)14-9-7-5-4-6-8-13(3)10-11-14/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4+,11-10+/t14-/m1/s1
InChIKeyCPEKJYOEFKSMQG-GXGWCTIXSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene?
The IUPAC name of (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene (CID 163075641) is (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene.
What is the SMILES notation for (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene?
The canonical SMILES for (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene is C=C1/C=C/[C@H](C(C)C)CC/C=C/CC1.
What is the InChIKey of (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene?
The InChIKey is CPEKJYOEFKSMQG-GXGWCTIXSA-N. The full InChI is InChI=1S/C14H22/c1-12(2)14-9-7-5-4-6-8-13(3)10-11-14/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4+,11-10+/t14-/m1/s1.
What are the key properties of (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene?
(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene has a molecular weight of 190.33 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene is sourced from PubChem (CID 163075641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).