ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane

C16H30 — CID 157035804

IUPACethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
SMILESC=C/C=C1C(=C/C)\CCCC\1C.CC.CC
InChIInChI=1S/C12H18.2C2H6/c1-4-7-12-10(3)8-6-9-11(12)5-2;2*1-2/h4-5,7,10H,1,6,8-9H2,2-3H3;2*1-2H3/b11-5-,12-7-;;
InChIKeyHQBGDOYJTJPQRD-QIPFNBHCSA-N
MW222.42 g/mol
LogP5.92
Rot. Bonds1

About ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane

ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane (PubChem CID 157035804) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane.

Molecular Properties

Compound Nameethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
PubChem CID157035804
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
SMILESC=C/C=C1C(=C/C)\CCCC\1C.CC.CC
InChIInChI=1S/C12H18.2C2H6/c1-4-7-12-10(3)8-6-9-11(12)5-2;2*1-2/h4-5,7,10H,1,6,8-9H2,2-3H3;2*1-2H3/b11-5-,12-7-;;
InChIKeyHQBGDOYJTJPQRD-QIPFNBHCSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane?
The IUPAC name of ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane (CID 157035804) is ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane.
What is the SMILES notation for ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane?
The canonical SMILES for ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane is C=C/C=C1C(=C/C)\CCCC\1C.CC.CC.
What is the InChIKey of ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane?
The InChIKey is HQBGDOYJTJPQRD-QIPFNBHCSA-N. The full InChI is InChI=1S/C12H18.2C2H6/c1-4-7-12-10(3)8-6-9-11(12)5-2;2*1-2/h4-5,7,10H,1,6,8-9H2,2-3H3;2*1-2H3/b11-5-,12-7-;;.
What are the key properties of ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane?
ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane is sourced from PubChem (CID 157035804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).