(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane

C16H30O2 — CID 86680875

IUPAC(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane
SMILESC=C1CC[C@@H](C(C)C)CC1OC(C)OCCCC
InChIInChI=1S/C16H30O2/c1-6-7-10-17-14(5)18-16-11-15(12(2)3)9-8-13(16)4/h12,14-16H,4,6-11H2,1-3,5H3/t14?,15-,16?/m1/s1
InChIKeyUGZCBILGRLFWEC-HWOWSKLDSA-N
MW254.41 g/mol
LogP4.55
Rot. Bonds7

About (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane

(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane (PubChem CID 86680875) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane
PubChem CID86680875
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane
SMILESC=C1CC[C@@H](C(C)C)CC1OC(C)OCCCC
InChIInChI=1S/C16H30O2/c1-6-7-10-17-14(5)18-16-11-15(12(2)3)9-8-13(16)4/h12,14-16H,4,6-11H2,1-3,5H3/t14?,15-,16?/m1/s1
InChIKeyUGZCBILGRLFWEC-HWOWSKLDSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane?
The IUPAC name of (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane (CID 86680875) is (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane.
What is the SMILES notation for (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane?
The canonical SMILES for (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane is C=C1CC[C@@H](C(C)C)CC1OC(C)OCCCC.
What is the InChIKey of (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane?
The InChIKey is UGZCBILGRLFWEC-HWOWSKLDSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-7-10-17-14(5)18-16-11-15(12(2)3)9-8-13(16)4/h12,14-16H,4,6-11H2,1-3,5H3/t14?,15-,16?/m1/s1.
What are the key properties of (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane?
(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane is sourced from PubChem (CID 86680875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).