(5Z)-4-propan-2-ylhepta-1,5-diene

C10H18 — CID 59039580

IUPAC(5Z)-4-propan-2-ylhepta-1,5-diene
SMILESC=CCC(/C=C\C)C(C)C
InChIInChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,8-10H,1,7H2,2-4H3/b8-6-
InChIKeyWMCVLUVNCUOTGP-VURMDHGXSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds4

About (5Z)-4-propan-2-ylhepta-1,5-diene

(5Z)-4-propan-2-ylhepta-1,5-diene (PubChem CID 59039580) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (5Z)-4-propan-2-ylhepta-1,5-diene.

Molecular Properties

Compound Name(5Z)-4-propan-2-ylhepta-1,5-diene
PubChem CID59039580
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(5Z)-4-propan-2-ylhepta-1,5-diene
SMILESC=CCC(/C=C\C)C(C)C
InChIInChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,8-10H,1,7H2,2-4H3/b8-6-
InChIKeyWMCVLUVNCUOTGP-VURMDHGXSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
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

(2R)-2-propan-2-ylpent-4-enal
CID 44521428
4-propan-2-ylhept-2-ene
CID 54114231
4-propan-2-ylhepta-1,6-diene
CID 14140894
methane;(E,4R)-4-propan-2-ylhept-2-ene
CID 158370601
5-butan-2-ylocta-1,6-diene
CID 123143633
(4E,8E)-7-methyldeca-1,4,8-triene
CID 20695287
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
(Z,5R)-5-propan-2-yloct-6-en-2-one
CID 166881675
(5E)-3-ethenyl-4-prop-2-enylhepta-1,5-dien-3-ol
CID 121008731
(5R,6Z)-5-isocyanato-4-methylocta-1,6-diene
CID 139331983
[(5E)-hepta-1,5-dien-4-yl]sulfanylbenzene
CID 10632029

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-propan-2-ylhepta-1,5-diene?
The IUPAC name of (5Z)-4-propan-2-ylhepta-1,5-diene (CID 59039580) is (5Z)-4-propan-2-ylhepta-1,5-diene.
What is the SMILES notation for (5Z)-4-propan-2-ylhepta-1,5-diene?
The canonical SMILES for (5Z)-4-propan-2-ylhepta-1,5-diene is C=CCC(/C=C\C)C(C)C.
What is the InChIKey of (5Z)-4-propan-2-ylhepta-1,5-diene?
The InChIKey is WMCVLUVNCUOTGP-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-10(8-6-2)9(3)4/h5-6,8-10H,1,7H2,2-4H3/b8-6-.
What are the key properties of (5Z)-4-propan-2-ylhepta-1,5-diene?
(5Z)-4-propan-2-ylhepta-1,5-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-propan-2-ylhepta-1,5-diene is sourced from PubChem (CID 59039580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).