(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene

C14H20 — CID 163430658

IUPAC(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene
SMILESC=C1C=C[C@](C)(CC)C(C)=C1/C=C\C
InChIInChI=1S/C14H20/c1-6-8-13-11(3)9-10-14(5,7-2)12(13)4/h6,8-10H,3,7H2,1-2,4-5H3/b8-6-/t14-/m0/s1
InChIKeyAQEXIHRKFUAGGB-QPBFKRLHSA-N
MW188.31 g/mol
LogP4.42
Rot. Bonds2

About (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene

(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene (PubChem CID 163430658) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene
PubChem CID163430658
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene
SMILESC=C1C=C[C@](C)(CC)C(C)=C1/C=C\C
InChIInChI=1S/C14H20/c1-6-8-13-11(3)9-10-14(5,7-2)12(13)4/h6,8-10H,3,7H2,1-2,4-5H3/b8-6-/t14-/m0/s1
InChIKeyAQEXIHRKFUAGGB-QPBFKRLHSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
CID 143340610
3-methyl-2-[(E)-prop-1-enyl]furan
CID 59930560
1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
CID 13425711
1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144989599
6-ethenyl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123865418
1,2-dimethyl-1-phenyl-3-[(Z)-prop-1-enyl]indene;ethane;methylphosphane
CID 153369563
ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan
CID 143456699
5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
CID 166750866
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144789889
6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole
CID 126695691
3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
CID 143372820
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene?
The IUPAC name of (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene (CID 163430658) is (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene.
What is the SMILES notation for (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene?
The canonical SMILES for (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene is C=C1C=C[C@](C)(CC)C(C)=C1/C=C\C.
What is the InChIKey of (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene?
The InChIKey is AQEXIHRKFUAGGB-QPBFKRLHSA-N. The full InChI is InChI=1S/C14H20/c1-6-8-13-11(3)9-10-14(5,7-2)12(13)4/h6,8-10H,3,7H2,1-2,4-5H3/b8-6-/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene?
(3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene has a molecular weight of 188.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2,3-dimethyl-6-methylidene-1-[(Z)-prop-1-enyl]cyclohexa-1,4-diene is sourced from PubChem (CID 163430658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).