ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene

C19H40 — CID 178040036

IUPACethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
SMILESC=C(CC/C(=C\C)CC)C(C)C.C=CC.CC.CC
InChIInChI=1S/C12H22.C3H6.2C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-3-2;2*1-2/h6,10H,5,7-9H2,1-4H3;3H,1H2,2H3;2*1-2H3/b12-6-;;;
InChIKeyCRDHGWIFWNHHAZ-SFFSSGGOSA-N
MW268.53 g/mol
LogP7.58
Rot. Bonds5

About ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene

ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene (PubChem CID 178040036) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene.

Molecular Properties

Compound Nameethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
PubChem CID178040036
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Nameethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
SMILESC=C(CC/C(=C\C)CC)C(C)C.C=CC.CC.CC
InChIInChI=1S/C12H22.C3H6.2C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-3-2;2*1-2/h6,10H,5,7-9H2,1-4H3;3H,1H2,2H3;2*1-2H3/b12-6-;;;
InChIKeyCRDHGWIFWNHHAZ-SFFSSGGOSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.58
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

Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Camphorene
CID 101750
(-)-Cembrene A
CID 5281384
beta-Terpinene
CID 66841
Neophytadiene
CID 10446
trans-Isolimonene
CID 22831540
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
(14E,18E)-lycopadiene
CID 13889926
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
m-Camphorene
CID 5315649
Npc44581
CID 11747713

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene?
The IUPAC name of ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene (CID 178040036) is ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene.
What is the SMILES notation for ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene?
The canonical SMILES for ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene is C=C(CC/C(=C\C)CC)C(C)C.C=CC.CC.CC.
What is the InChIKey of ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene?
The InChIKey is CRDHGWIFWNHHAZ-SFFSSGGOSA-N. The full InChI is InChI=1S/C12H22.C3H6.2C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-3-2;2*1-2/h6,10H,5,7-9H2,1-4H3;3H,1H2,2H3;2*1-2H3/b12-6-;;;.
What are the key properties of ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene?
ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene has a molecular weight of 268.53 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene is sourced from PubChem (CID 178040036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).